E2K
  CCTOOLS-0919241028

 46 48  0  0  1  0  0  0  0  0999 V2000
    2.5340    1.6080   -0.3150 C   0  0  0  0  0
    1.7300    2.7560   -0.4090 C   0  0  0  0  0
    2.3620    3.9920   -0.6230 C   0  0  0  0  0
    0.4030    1.0620   -0.0810 C   0  0  0  0  0
    3.6870    4.0170   -0.7260 N   0  0  0  0  0
    3.8520    1.7310   -0.4270 N   0  0  0  0  0
    4.4010    2.9110   -0.6320 C   0  0  0  0  0
    2.0490   -0.8520    0.0580 C   0  0  0  0  0
    1.2270   -3.0160   -0.0160 C   0  0  0  0  0
   -0.1380   -3.7080    0.0020 C   0  0  0  0  0
    1.7280   -2.8090    1.4270 C   0  0  0  0  0
    1.9260   -1.2780    1.5430 C   0  0  0  0  0
   -2.3040    1.4290    0.0750 C   0  0  0  0  0
   -3.6980    0.8270    0.2610 C   0  0  0  0  0
   -4.7470    1.9380    0.1910 C   0  0  0  0  0
   -6.1210    1.3450    0.3740 C   0  0  0  0  0
    1.6210    5.1590   -0.7240 N   0  0  0  0  0
    0.4420    2.3600   -0.2580 N   0  0  0  0  0
    1.6740    0.5540   -0.1090 N   0  0  0  0  0
   -0.5510   -4.0080   -1.3720 N   0  0  0  0  0
   -0.7400   -5.0710   -1.6820 N   0  3  0  0  0
   -0.9280   -6.1350   -1.9930 N   0  5  0  0  0
    1.1110   -1.7160   -0.6190 O   0  0  0  0  0
    2.9670   -3.4910    1.6280 O   0  0  0  0  0
    3.1230   -0.9720    2.2620 O   0  0  0  0  0
   -6.2470    0.1550    0.5430 O   0  0  0  0  0
   -7.2030    2.1380    0.3500 O   0  0  0  0  0
   -1.0630    0.1140    0.1570 S   0  0  0  0  0
    5.4750    2.9760   -0.7220 H   0  0  0  0  0
    3.0620   -1.0240   -0.3080 H   0  0  0  0  0
    1.9420   -3.6200   -0.5730 H   0  0  0  0  0
   -0.0670   -4.6350    0.5710 H   0  0  0  0  0
   -0.8720   -3.0510    0.4670 H   0  0  0  0  0
    0.9820   -3.1540    2.1430 H   0  0  0  0  0
    1.0620   -0.8080    2.0120 H   0  0  0  0  0
   -2.2480    1.9220   -0.8960 H   0  0  0  0  0
   -2.1150    2.1570    0.8630 H   0  0  0  0  0
   -3.8880    0.0980   -0.5280 H   0  0  0  0  0
   -3.7540    0.3340    1.2310 H   0  0  0  0  0
   -4.5580    2.6660    0.9800 H   0  0  0  0  0
   -4.6910    2.4310   -0.7800 H   0  0  0  0  0
    0.6540    5.1270   -0.6460 H   0  0  0  0  0
    2.0680    6.0060   -0.8710 H   0  0  0  0  0
    2.9130   -4.4490    1.5090 H   0  0  0  0  0
    3.0950   -1.2200    3.1960 H   0  0  0  0  0
   -8.0620    1.7120    0.4720 H   0  0  0  0  0
  1 19  1  0  0  0
  1  6  2  0  0  0
  2  1  1  0  0  0
  3  2  2  0  0  0
  3  5  1  0  0  0
  4 19  1  0  0  0
  5  7  2  0  0  0
  7  6  1  0  0  0
  7 29  1  0  0  0
  8 12  1  0  0  0
  8 30  1  0  0  0
  9 11  1  0  0  0
  9 31  1  0  0  0
 10 20  1  0  0  0
 10  9  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 11 24  1  0  0  0
 11 34  1  0  0  0
 12 11  1  0  0  0
 12 25  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 14  1  0  0  0
 15 40  1  0  0  0
 15 41  1  0  0  0
 16 27  1  0  0  0
 16 15  1  0  0  0
 17  3  1  0  0  0
 17 42  1  0  0  0
 17 43  1  0  0  0
 18  2  1  0  0  0
 18  4  2  0  0  0
 19  8  1  0  0  0
 20 21  2  0  0  0
 21 22  2  0  0  0
 23  9  1  0  0  0
 23  8  1  0  0  0
 24 44  1  0  0  0
 25 45  1  0  0  0
 26 16  2  0  0  0
 27 46  1  0  0  0
 28  4  1  0  0  0
 28 13  1  0  0  0
M  CHG  1  21   1
M  CHG  1  22  -1
M  END
$$$$
