B15
  CCTOOLS-0807261402

 53 55  0  0  0  0  0  0  0  0999 V2000
    4.6550    0.0060   -0.5580 C   0  0  0  0  0
    5.5130   -1.0890   -0.5940 C   0  0  0  0  0
    6.8740   -0.9470   -0.3980 C   0  0  0  0  0
    7.4060    0.3140   -0.1680 C   0  0  0  0  0
    6.5700    1.4220   -0.1250 C   0  0  0  0  0
    5.2120    1.2590   -0.3220 C   0  0  0  0  0
    3.1640   -0.1590   -0.7740 C   0  0  0  0  0
    2.3890   -0.4030    0.5070 C   0  0  0  0  0
   -3.6170    0.8790   -0.5950 C   0  0  0  0  0
    0.0580    0.3970    0.1680 C   0  0  0  0  0
   -1.7940   -1.1810   -0.6970 C   0  0  0  0  0
   -3.1080   -1.3920   -1.0760 C   0  0  0  0  0
   -1.3590    0.0710   -0.2640 C   0  0  0  0  0
   -2.3030    1.0940   -0.2170 C   0  0  0  0  0
   -4.0440   -0.3690   -1.0220 C   0  0  0  0  0
   -5.4840   -0.5900   -1.4490 C   0  0  0  0  0
   -6.6570   -1.4900    0.6130 C   0  0  0  0  0
   -6.4080   -1.0500    2.0530 C   0  0  0  0  0
   -7.7230    0.3750   -0.7680 C   0  0  0  0  0
   -7.6160    1.8650   -0.4680 C   0  0  0  0  0
    9.4690    0.1380    1.6130 N   0  0  0  0  0
    0.9570   -0.6020    0.2710 N   0  0  0  0  0
   -6.4960   -0.3800   -0.3730 N   0  0  0  0  0
    9.4860    1.8690   -0.1000 O   0  0  0  0  0
    9.8060   -0.4820   -0.7180 O   0  0  0  0  0
    0.3860    1.5740    0.3680 O   0  0  0  0  0
   -7.3670   -0.5700    2.6970 O   0  5  0  0  0
   -8.0450    2.2680    0.6380 O   0  5  0  0  0
   -5.2490   -1.2040    2.4940 O   0  0  0  0  0
   -7.1060    2.5850   -1.3530 O   0  0  0  0  0
    9.1490    0.4960    0.0860 S   0  0  0  0  0
   -7.7250    0.8590    1.9750 CU  0  0  0  0  0
    5.1590   -1.9490   -0.7530 H   0  0  0  0  0
    7.4350   -1.6970   -0.4260 H   0  0  0  0  0
    6.9220    2.2750    0.0330 H   0  0  0  0  0
    4.6490    2.0160   -0.2940 H   0  0  0  0  0
    3.0090   -0.9110   -1.3830 H   0  0  0  0  0
    2.8110    0.6450   -1.2070 H   0  0  0  0  0
    2.5180    0.3540    1.1080 H   0  0  0  0  0
    2.7480   -1.1980    0.9460 H   0  0  0  0  0
   -4.2340    1.5920   -0.5550 H   0  0  0  0  0
   -1.1880   -1.8970   -0.7450 H   0  0  0  0  0
   -3.3740   -2.2500   -1.3690 H   0  0  0  0  0
   -2.0490    1.9520    0.0730 H   0  0  0  0  0
   -5.5790   -1.5140   -1.8040 H   0  0  0  0  0
   -5.6720    0.0310   -2.2000 H   0  0  0  0  0
   -7.5590   -1.8650    0.5540 H   0  0  0  0  0
   -6.0330   -2.2150    0.4040 H   0  0  0  0  0
   -7.8960    0.2620   -1.7250 H   0  0  0  0  0
   -8.5050    0.0250   -0.2960 H   0  0  0  0  0
   10.2950    0.2530    1.8260 H   0  0  0  0  0
    9.1090   -0.5970    1.8750 H   0  0  0  0  0
    0.7260   -1.4320    0.2370 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  2  0  0  0
  1  7  1  0  0  0
  2  3  2  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  4  5  2  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8 22  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 14  1  0  0  0
  9 15  2  0  0  0
  9 41  1  0  0  0
 10 13  1  0  0  0
 10 22  1  0  0  0
 10 26  2  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 11 42  1  0  0  0
 12 15  1  0  0  0
 12 43  1  0  0  0
 13 14  2  0  0  0
 14 44  1  0  0  0
 15 16  1  0  0  0
 16 23  1  0  0  0
 16 45  1  0  0  0
 16 46  1  0  0  0
 17 18  1  0  0  0
 17 23  1  0  0  0
 17 47  1  0  0  0
 17 48  1  0  0  0
 18 27  1  0  0  0
 18 29  2  0  0  0
 19 20  1  0  0  0
 19 23  1  0  0  0
 19 49  1  0  0  0
 19 50  1  0  0  0
 20 28  1  0  0  0
 20 30  2  0  0  0
 21 31  1  0  0  0
 21 51  1  0  0  0
 21 52  1  0  0  0
 22 53  1  0  0  0
 24 31  2  0  0  0
 25 31  2  0  0  0
 27 32  1  0  0  0
 28 32  1  0  0  0
M  CHG  1  27  -1
M  CHG  1  28  -1
M  END
$$$$
