127 lines (125 with data), 5.6 kB

10gs_ligand
 OpenBabel04111713463D

 59 60  0  0  1  0  0  0  0  0999 V2000
   15.0880   10.7980   23.5470 N   0  3  0  0  0  0  0  0  0  0  0  0
   15.0100    9.9870   24.7920 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.1150    8.9240   24.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5200    8.5150   25.9400 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6350    9.3270   24.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3940    8.7080   26.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0450    8.0460   26.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2930    7.9360   25.4350 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5780    8.5240   23.7440 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7260    7.6420   27.6280 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4720    6.9670   27.9340 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7260    5.4840   28.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2910    4.5240   26.8100 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7290    3.8040   26.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9300    3.1710   27.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6400    3.6140   27.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4640    2.1350   28.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8930    3.0370   28.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7230    1.5500   29.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4370    2.0010   29.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8340    7.5500   29.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5220    8.0230   30.0840 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5120    7.4680   29.2290 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7400    7.9330   30.3660 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5550    7.0620   30.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3300    7.3150   30.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6830    5.9410   31.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500    6.4590   30.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6110    5.0810   31.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3920    5.3390   31.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4520    9.4330   30.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1160    9.9570   31.4330 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5690   10.0680   29.2840 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3522   11.4870   23.5482 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9824   10.1951   22.7461 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9821   11.2614   23.5033 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1478   10.6593   25.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5582    8.5382   24.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8628   10.0891   24.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4683    9.4998   27.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1719    7.9516   26.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3741    7.8085   28.3711 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7864    7.0776   27.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7847    5.0400   28.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4878    5.4113   28.9961 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9478    3.0333   25.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1210    4.5998   25.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2118    4.4189   27.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4667    1.7790   27.9259 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8903    3.3927   28.8804 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1502    0.7453   29.7483 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8580    1.5482   30.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0270    7.0694   28.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3977    7.7875   31.2356 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2146    8.1893   29.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6317    5.7341   31.9229 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2999    6.6666   29.7411 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7257    4.2088   32.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5543    4.6679   31.1783 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  1  1  0  0  0  0
  2  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  1  1  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 42  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 11 43  1  6  0  0  0
 12 13  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 48  1  0  0  0  0
 17 19  2  0  0  0  0
 17 49  1  0  0  0  0
 18 20  2  0  0  0  0
 18 50  1  0  0  0  0
 19 20  1  0  0  0  0
 19 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 53  1  0  0  0  0
 24 25  1  0  0  0  0
 24 31  1  0  0  0  0
 24 54  1  1  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 55  1  0  0  0  0
 27 29  2  0  0  0  0
 27 56  1  0  0  0  0
 28 30  2  0  0  0  0
 28 57  1  0  0  0  0
 29 30  1  0  0  0  0
 29 58  1  0  0  0  0
 30 59  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  CHG  1   1   1
M  END
$$$$