
  -ISIS-  04220312222D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -3.4931    2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4943    1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9961    1.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4963    1.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4992    2.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9979    2.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0042    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    3.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4958    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9958    1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4958    1.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4691    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9057    1.5924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6223    2.0882    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0017    2.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    3.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2378    1.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8096    1.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0934    2.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8012    2.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2303    2.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
 13 14  1  0  0  0  0
  5  7  1  0  0  0  0
  2  3  1  0  0  0  0
  7  8  2  0  0  0  0
  4  5  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 13  2  0  0  0  0
  2  9  1  0  0  0  0
 17 18  1  0  0  0  0
  1  2  2  0  0  0  0
 16 19  1  0  0  0  0
  9 10  1  0  0  0  0
 19 20  2  0  0  0  0
  5  6  2  0  0  0  0
 20 21  1  0  0  0  0
 10 11  1  0  0  0  0
 21 22  2  0  0  0  0
  6  1  1  0  0  0  0
 22 23  1  0  0  0  0
 11 12  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
  7 13  1  0  0  0  0
M  END
> <Name>
Example1

$$$$

  -ISIS-  04220312222D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -3.9806   -8.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9818   -8.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4836   -9.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9838   -8.9935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9867   -8.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4854   -8.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4917   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958   -7.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9399   -8.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3765   -9.1035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0931   -8.6076    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4725   -8.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3292   -7.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -8.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2330   -9.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3388   -9.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6225   -8.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3303   -8.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2405   -8.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1958   -8.5958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4917   -9.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9917  -10.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958  -10.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4958  -10.9958    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -4.9911  -10.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4896  -10.9839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4972  -11.5588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0019  -11.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4991  -11.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12 15  1  0  0  0  0
  7  8  2  0  0  0  0
 15 16  2  0  0  0  0
  4  5  1  0  0  0  0
 16 17  1  0  0  0  0
  7  9  1  0  0  0  0
 17 18  2  0  0  0  0
  9 10  1  0  0  0  0
 18 19  1  0  0  0  0
  1  2  2  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
  5  6  2  0  0  0  0
 18 21  1  0  0  0  0
  6  1  1  0  0  0  0
  3 22  1  0  0  0  0
  3  4  2  0  0  0  0
 22 23  1  0  0  0  0
 10 11  2  0  0  0  0
 23 24  1  0  0  0  0
 11 12  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  2  0  0  0  0
  5  7  1  0  0  0  0
 13 14  1  0  0  0  0
  2  3  1  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
> <Name>
Example14

$$$$

  -ISIS-  04220312222D

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.8417    2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8976    1.8812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4610    1.7632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7444    2.2591    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    8.3650    2.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5083    3.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3167    2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6045    1.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1763    1.7701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4600    2.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1678    2.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5970    2.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0333    2.2708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8583    1.8375    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.3632    1.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8654    1.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8606    2.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3557    2.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8556    2.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8611    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8599    1.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3581    1.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8578    1.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8550    2.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3563    2.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500    2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3458    3.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3583    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8583    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3583    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  2  0  0  0  0
  4  5  1  0  0  0  0
  8  9  1  0  0  0  0
  5  1  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  9 10  2  0  0  0  0
  1  2  1  0  0  0  0
 20 21  2  0  0  0  0
 10 11  1  0  0  0  0
 21 22  1  0  0  0  0
  5  6  1  0  0  0  0
 22 23  2  0  0  0  0
 11 12  2  0  0  0  0
 23 24  1  0  0  0  0
 12  7  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
  2  3  2  0  0  0  0
 24 26  1  0  0  0  0
 10 13  1  0  0  0  0
 26 27  2  0  0  0  0
  4  7  1  0  0  0  0
 21 28  1  0  0  0  0
 14 15  1  0  0  0  0
 28 29  2  0  0  0  0
  3  4  1  0  0  0  0
 29 30  1  0  0  0  0
 30 14  1  0  0  0  0
  1 26  1  0  0  0  0
M  END
> <Name>
Example2

$$$$

  -ISIS-  04220312222D

 31 34  0  0  0  0  0  0  0  0999 V2000
   10.7569   -8.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7557   -8.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2539   -9.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7537   -8.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7508   -8.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2521   -7.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2458   -7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2417   -7.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7417   -8.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7976   -8.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3610   -8.9285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6444   -8.4326    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   13.2650   -8.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4083   -7.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -8.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5045   -8.9247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0763   -8.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3600   -8.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0678   -7.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4970   -7.9339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9333   -8.4208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2537   -9.6819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7500   -9.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7458  -10.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2458  -10.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417  -11.3958    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    9.7404  -11.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7348  -12.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2294  -12.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7307  -12.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7375  -11.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  2  0  0  0  0
 15 16  2  0  0  0  0
  4  5  1  0  0  0  0
 16 17  1  0  0  0  0
  7  9  1  0  0  0  0
 17 18  2  0  0  0  0
  9 10  1  0  0  0  0
 18 19  1  0  0  0  0
  1  2  2  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
  5  6  2  0  0  0  0
 18 21  1  0  0  0  0
  6  1  1  0  0  0  0
  3 22  1  0  0  0  0
  3  4  2  0  0  0  0
 22 23  1  0  0  0  0
 10 11  2  0  0  0  0
 23 24  1  0  0  0  0
 11 12  1  0  0  0  0
 24 25  1  0  0  0  0
 12 13  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 13  9  2  0  0  0  0
  5  7  1  0  0  0  0
 13 14  1  0  0  0  0
  2  3  1  0  0  0  0
 12 15  1  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
> <Name>
Example21

$$$$

  -ISIS-  04220312222D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -4.4181  -15.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4193  -15.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9211  -16.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4213  -15.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4242  -15.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9229  -14.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9292  -14.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333  -14.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333  -15.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3774  -15.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8140  -15.8535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5306  -15.3576    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9100  -14.9327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7667  -14.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583  -15.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6705  -15.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0987  -15.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1850  -15.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1072  -14.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6780  -14.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7583  -15.3458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9213  -16.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4250  -16.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4292  -17.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9292  -17.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9333  -18.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4333  -18.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  5  7  1  0  0  0  0
 13 14  1  0  0  0  0
  2  3  1  0  0  0  0
 12 15  1  0  0  0  0
  7  8  2  0  0  0  0
 15 16  2  0  0  0  0
  4  5  1  0  0  0  0
 16 17  1  0  0  0  0
  7  9  1  0  0  0  0
 17 18  2  0  0  0  0
  9 10  1  0  0  0  0
 18 19  1  0  0  0  0
  1  2  2  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
  5  6  2  0  0  0  0
 18 21  1  0  0  0  0
  6  1  1  0  0  0  0
  3 22  1  0  0  0  0
  3  4  2  0  0  0  0
 22 23  1  0  0  0  0
 10 11  2  0  0  0  0
 23 24  1  0  0  0  0
 11 12  1  0  0  0  0
 24 25  1  0  0  0  0
 12 13  1  0  0  0  0
 25 26  1  0  0  0  0
 13  9  2  0  0  0  0
 26 27  3  0  0  0  0
M  END
> <Name>
Example27

$$$$

  -ISIS-  04220312222D

 30 33  0  0  0  0  0  0  0  0999 V2000
   13.5958    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6517    2.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2152    2.0299    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4985    2.5257    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   14.1191    2.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2625    3.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0708    2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3587    2.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9304    2.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2142    2.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9220    3.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3512    3.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7875    2.5375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.6333   -0.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6527    2.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6516    2.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    1.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6495    2.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6466    2.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1479    2.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1417    2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1375    3.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1458    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1417    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1375    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375   -0.1708    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   11.1422    0.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6438   -0.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1314   -1.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6343   -0.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 15 16  2  0  0  0  0
  4  5  1  0  0  0  0
 16 17  1  0  0  0  0
  8  9  1  0  0  0  0
 17 18  2  0  0  0  0
  5  1  2  0  0  0  0
 18 19  1  0  0  0  0
  9 10  2  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
  1  2  1  0  0  0  0
 19 21  1  0  0  0  0
 10 11  1  0  0  0  0
 21 22  2  0  0  0  0
  5  6  1  0  0  0  0
 17 23  1  0  0  0  0
 11 12  2  0  0  0  0
 23 24  3  0  0  0  0
 12  7  1  0  0  0  0
 24 25  1  0  0  0  0
  2  3  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 10 13  1  0  0  0  0
  4  7  1  0  0  0  0
  3  4  1  0  0  0  0
  7  8  2  0  0  0  0
 26 30  1  0  0  0  0
 27 28  1  0  0  0  0
 28 14  1  0  0  0  0
 14 29  1  0  0  0  0
 29 30  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
> <Name>
Example3

$$$$

  -ISIS-  04220312222D

 34 38  0  0  0  0  0  0  0  0999 V2000
    3.4194  -15.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4182  -15.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9164  -16.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4162  -15.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4133  -15.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9146  -14.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9083  -14.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042  -14.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042  -15.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4601  -15.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0235  -15.8576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3069  -15.3618    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.9275  -14.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0708  -14.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792  -15.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1670  -15.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7388  -15.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0225  -15.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7303  -14.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1595  -14.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5958  -15.3500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9083  -16.6083    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.4074  -16.8866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3980  -17.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8883  -17.7522    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3892  -17.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3998  -16.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8833  -18.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3829  -18.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8900  -18.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3899  -18.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3846  -19.1742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8835  -19.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3816  -19.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0  0  0  0
  7  9  1  0  0  0  0
 17 18  2  0  0  0  0
  9 10  1  0  0  0  0
 18 19  1  0  0  0  0
  1  2  2  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
  5  6  2  0  0  0  0
 18 21  1  0  0  0  0
  6  1  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3  4  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
  5  7  1  0  0  0  0
 25 28  1  0  0  0  0
 13 14  1  0  0  0  0
 28 29  1  0  0  0  0
  2  3  1  0  0  0  0
 29 30  2  0  0  0  0
 12 15  1  0  0  0  0
 30 31  1  0  0  0  0
  7  8  2  0  0  0  0
 31 32  2  0  0  0  0
 15 16  2  0  0  0  0
 32 33  1  0  0  0  0
  4  5  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
M  END
> <Name>
Example33

$$$$

  -ISIS-  04220312222D

 31 34  0  0  0  0  0  0  0  0999 V2000
   11.6652  -15.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6641  -15.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1622  -16.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6620  -15.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6591  -15.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1604  -14.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542  -14.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1500  -14.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6500  -15.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7059  -15.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2693  -15.8535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5527  -15.3576    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   14.1733  -14.9327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3167  -14.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1250  -15.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4128  -15.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9846  -15.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2684  -15.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9762  -14.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4053  -14.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8417  -15.3458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542  -16.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6542  -16.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2458  -16.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042  -17.4417    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   10.9482  -17.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7976  -18.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2006  -18.5483    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   11.7565  -18.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9094  -17.8470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0500  -19.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  2  0  0  0  0
 15 16  2  0  0  0  0
  4  5  1  0  0  0  0
 16 17  1  0  0  0  0
  7  9  1  0  0  0  0
 17 18  2  0  0  0  0
  9 10  1  0  0  0  0
 18 19  1  0  0  0  0
  1  2  2  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
  5  6  2  0  0  0  0
 18 21  1  0  0  0  0
  6  1  1  0  0  0  0
  3 22  1  0  0  0  0
  3  4  2  0  0  0  0
 22 23  1  0  0  0  0
 10 11  2  0  0  0  0
 23 24  2  0  0  0  0
 11 12  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  2  0  0  0  0
  5  7  1  0  0  0  0
 13 14  1  0  0  0  0
  2  3  1  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 12 15  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
> <Name>
Example38

$$$$

  -ISIS-  04220312222D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.3042   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2483   -3.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6848   -3.6701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4015   -3.1743    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7809   -2.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375   -2.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1708   -3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4587   -3.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0304   -3.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3142   -3.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0220   -2.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4512   -2.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -3.1625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2723   -2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2734   -3.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7753   -3.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2755   -3.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2784   -2.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7771   -2.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -2.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7792   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2783   -4.6981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2825   -5.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833   -5.5500    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -4.2762   -5.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7756   -5.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7803   -6.1064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2935   -6.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7898   -6.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  2  0  0  0  0
 15 16  1  0  0  0  0
  4  5  1  0  0  0  0
 16 17  2  0  0  0  0
  8  9  1  0  0  0  0
 17 18  1  0  0  0  0
  5  1  2  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
  9 10  2  0  0  0  0
 18 20  1  0  0  0  0
  1  2  1  0  0  0  0
 20 21  2  0  0  0  0
 10 11  1  0  0  0  0
 16 22  1  0  0  0  0
  5  6  1  0  0  0  0
 22 23  2  0  0  0  0
 11 12  2  0  0  0  0
 23 24  1  0  0  0  0
 12  7  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  2  3  2  0  0  0  0
 10 13  1  0  0  0  0
  4  7  1  0  0  0  0
  3  4  1  0  0  0  0
 14 15  2  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  1 20  1  0  0  0  0
M  END
> <Name>
Example4

$$$$

  -ISIS-  04220312222D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -4.8601  -24.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3580  -24.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3584  -25.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8602  -25.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3605  -25.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3625  -24.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3514  -22.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3526  -23.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8544  -23.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3547  -23.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3575  -22.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8562  -22.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625  -22.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8667  -21.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3667  -22.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3108  -23.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7473  -23.4076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4640  -22.9118    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8434  -22.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000  -21.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8917  -22.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6038  -23.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0321  -23.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517  -22.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0405  -22.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6113  -22.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250  -22.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625  -24.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
  4  5  1  0  0  0  0
  8  9  1  0  0  0  0
  1  2  2  0  0  0  0
  9 10  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  2  0  0  0  0
  5  6  2  0  0  0  0
 19 20  1  0  0  0  0
 10 11  1  0  0  0  0
 18 21  1  0  0  0  0
  6  1  1  0  0  0  0
 21 22  2  0  0  0  0
 11 12  2  0  0  0  0
 22 23  1  0  0  0  0
 12  7  1  0  0  0  0
 23 24  2  0  0  0  0
  3  4  2  0  0  0  0
 24 25  1  0  0  0  0
 11 13  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
  2  3  1  0  0  0  0
 24 27  1  0  0  0  0
 13 14  2  0  0  0  0
  9 28  1  0  0  0  0
 28  6  1  0  0  0  0
M  END
> <Name>
Example43

$$$$

  -ISIS-  04220312222D

 27 29  0  0  0  0  0  0  0  0999 V2000
    3.7361  -22.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7349  -23.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2331  -23.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7328  -23.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7300  -22.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2313  -22.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250  -22.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2208  -21.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7208  -22.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7767  -23.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3402  -23.2035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6235  -22.7076    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.2441  -22.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875  -21.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1958  -22.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4837  -23.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0554  -23.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3392  -22.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0470  -22.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762  -22.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9125  -22.6958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250  -23.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250  -24.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250  -23.9500    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    3.3708  -23.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9333  -24.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250  -23.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  5  7  1  0  0  0  0
 13 14  1  0  0  0  0
  2  3  1  0  0  0  0
 12 15  1  0  0  0  0
  7  8  2  0  0  0  0
 15 16  2  0  0  0  0
  4  5  1  0  0  0  0
 16 17  1  0  0  0  0
  7  9  1  0  0  0  0
 17 18  2  0  0  0  0
  9 10  1  0  0  0  0
 18 19  1  0  0  0  0
  1  2  2  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
  5  6  2  0  0  0  0
 18 21  1  0  0  0  0
  6  1  1  0  0  0  0
  3 22  1  0  0  0  0
  3  4  2  0  0  0  0
 22 23  1  0  0  0  0
 10 11  2  0  0  0  0
 23 24  1  0  0  0  0
 11 12  1  0  0  0  0
 24 25  2  0  0  0  0
 12 13  1  0  0  0  0
 24 26  2  0  0  0  0
 13  9  2  0  0  0  0
 24 27  1  0  0  0  0
M  END
> <Name>
Example50

$$$$

  -ISIS-  04220312222D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.7500   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8059   -3.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3693   -3.3910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6527   -2.8951    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.2733   -2.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -1.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5128   -3.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0846   -3.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3684   -2.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0762   -2.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5053   -2.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417   -2.8833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8486   -2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8474   -3.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3456   -3.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8453   -3.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425   -2.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3438   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3333   -1.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8425   -4.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8384   -5.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -5.2875    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.8446   -4.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3453   -5.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3405   -5.8439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8273   -6.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3310   -5.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  2  0  0  0  0
 15 16  1  0  0  0  0
  4  5  1  0  0  0  0
 16 17  2  0  0  0  0
  8  9  1  0  0  0  0
 17 18  1  0  0  0  0
  5  1  2  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
  9 10  2  0  0  0  0
 18 20  1  0  0  0  0
  1  2  1  0  0  0  0
 20 21  2  0  0  0  0
 10 11  1  0  0  0  0
 16 22  1  0  0  0  0
  5  6  1  0  0  0  0
 22 23  1  0  0  0  0
 11 12  2  0  0  0  0
 23 24  1  0  0  0  0
 12  7  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  2  3  2  0  0  0  0
 10 13  1  0  0  0  0
  4  7  1  0  0  0  0
  3  4  1  0  0  0  0
 14 15  2  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  1 20  1  0  0  0  0
M  END
> <Name>
Example6

$$$$

  -ISIS-  04220312222D

 30 33  0  0  0  0  0  0  0  0999 V2000
   12.7958   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8517   -3.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4152   -3.5285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6985   -3.0326    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   13.3191   -2.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4625   -2.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2708   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5587   -3.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1304   -3.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4142   -3.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1220   -2.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5512   -2.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -3.0208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8958   -6.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9152   -2.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9141   -3.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4122   -3.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9120   -3.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9091   -2.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4104   -2.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4042   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000   -2.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4083   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4042   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000   -5.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9000   -5.7458    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   10.4047   -5.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9063   -5.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3939   -6.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8968   -6.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 15 16  2  0  0  0  0
  4  5  1  0  0  0  0
 16 17  1  0  0  0  0
  8  9  1  0  0  0  0
 17 18  2  0  0  0  0
  5  1  2  0  0  0  0
 18 19  1  0  0  0  0
  9 10  2  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
  1  2  1  0  0  0  0
 19 21  1  0  0  0  0
 10 11  1  0  0  0  0
 21 22  2  0  0  0  0
  5  6  1  0  0  0  0
 17 23  1  0  0  0  0
 11 12  2  0  0  0  0
 23 24  3  0  0  0  0
 12  7  1  0  0  0  0
 24 25  1  0  0  0  0
  2  3  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 10 13  1  0  0  0  0
  4  7  1  0  0  0  0
  3  4  1  0  0  0  0
  7  8  2  0  0  0  0
 26 30  1  0  0  0  0
 27 28  1  0  0  0  0
 28 14  1  0  0  0  0
 14 29  1  0  0  0  0
 29 30  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
> <Name>
Example9

$$$$
