12D
  CCTOOLS-0919241032

 58 62  0  0  1  0  0  0  0  0999 V2000
   -7.4020   -0.4360   -0.4900 P   0  0  0  0  0
   -7.8820    0.4800   -1.7240 O   0  0  0  0  0
   -7.7450    0.2340    0.7840 O   0  0  0  0  0
   -8.1430   -1.8640   -0.5620 O   0  0  0  0  0
   -4.6990   -1.1810    0.4690 P   0  0  0  0  0
   -4.9870   -0.6400    1.8160 O   0  0  0  0  0
   -4.7310   -2.7900    0.5190 O   0  0  0  0  0
   -5.8090   -0.6540   -0.5700 O   0  0  0  0  0
   -3.2410   -0.6880   -0.0060 O   0  0  0  0  0
   -2.0570   -0.9060    0.7630 C   0  0  0  0  0
   -0.8540   -0.3140    0.0250 C   0  0  0  0  0
   -0.9250    1.1280    0.0250 O   0  0  0  0  0
    0.4530   -0.6470    0.7760 C   0  0  0  0  0
    1.1590   -1.6690    0.0430 O   0  0  0  0  0
    1.3190    0.6320    0.6040 C   0  0  0  0  0
    2.4330    0.2140   -0.2110 O   0  0  0  0  0
    0.4240    1.5750   -0.2290 C   0  0  0  0  0
    0.5930    2.9610    0.2130 N   0  0  0  0  0
   -0.1520    3.6040    1.1570 C   0  0  0  0  0
    0.2720    4.8260    1.3030 N   0  0  0  0  0
    1.3130    5.0450    0.4640 C   0  0  0  0  0
    2.1460    6.1420    0.1890 C   0  0  0  0  0
    1.9780    7.3430    0.8550 N   0  0  0  0  0
    3.0990    6.0000   -0.7270 N   0  0  0  0  0
    3.2660    4.8580   -1.3680 C   0  0  0  0  0
    2.5100    3.8040   -1.1430 N   0  0  0  0  0
    1.5350    3.8500   -0.2410 C   0  0  0  0  0
    2.5210   -1.2080   -0.0120 C   0  0  0  0  0
    3.2330   -1.5130    1.3010 C   0  0  0  0  0
    3.5410   -2.9850    1.3920 C   0  0  0  0  0
    3.8380   -3.6760    0.2990 C   0  0  0  0  0
    3.8420   -3.0170   -1.0160 C   0  0  0  0  0
    3.2340   -1.8460   -1.1700 C   0  0  0  0  0
    4.4820   -0.7500    1.3650 N   0  3  0  0  0
    4.1670   -5.1150    0.4030 N   0  3  0  0  0
    3.2590   -1.1680   -2.4860 N   0  3  0  0  0
    5.3410   -0.9150    0.5170 O   0  0  0  0  0
    4.6610    0.0510    2.2650 O   0  5  0  0  0
    4.4400   -5.7520   -0.5990 O   0  0  0  0  0
    4.1650   -5.6630    1.4910 O   0  5  0  0  0
    3.8370   -1.6840   -3.4260 O   0  5  0  0  0
    2.7020   -0.0950   -2.6290 O   0  0  0  0  0
   -2.1610   -0.4240    1.7350 H   0  0  0  0  0
   -1.9060   -1.9770    0.9020 H   0  0  0  0  0
   -0.8120   -0.6930   -0.9960 H   0  0  0  0  0
    0.2830   -0.9180    1.8180 H   0  0  0  0  0
    1.6310    1.0640    1.5550 H   0  0  0  0  0
    0.6600    1.4840   -1.2890 H   0  0  0  0  0
   -0.9730    3.1630    1.7040 H   0  0  0  0  0
    1.2790    7.4350    1.5220 H   0  0  0  0  0
    2.5590    8.0940    0.6560 H   0  0  0  0  0
    4.0530    4.7850   -2.1040 H   0  0  0  0  0
    2.5920   -1.2250    2.1340 H   0  0  0  0  0
    3.5210   -3.4800    2.3520 H   0  0  0  0  0
    4.3390   -3.4840   -1.8540 H   0  0  0  0  0
   -8.8330    0.6530   -1.7390 H   0  0  0  0  0
   -7.9640   -2.3600   -1.3720 H   0  0  0  0  0
   -4.5490   -3.2130   -0.3310 H   0  0  0  0  0
  1  4  1  0  0  0
  1  8  1  0  0  0
  1  2  1  0  0  0
  2 56  1  0  0  0
  3  1  2  0  0  0
  4 57  1  0  0  0
  5  8  1  0  0  0
  5  9  1  0  0  0
  6  5  2  0  0  0
  7  5  1  0  0  0
  7 58  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 43  1  0  0  0
 10 44  1  0  0  0
 11 13  1  0  0  0
 11 45  1  0  0  0
 12 17  1  0  0  0
 12 11  1  0  0  0
 13 14  1  0  0  0
 13 46  1  0  0  0
 14 28  1  0  0  0
 15 13  1  0  0  0
 15 16  1  0  0  0
 15 47  1  0  0  0
 16 28  1  0  0  0
 17 15  1  0  0  0
 17 48  1  0  0  0
 18 17  1  0  0  0
 19 18  1  0  0  0
 19 49  1  0  0  0
 20 21  1  0  0  0
 20 19  2  0  0  0
 21 27  1  0  0  0
 22 21  2  0  0  0
 22 24  1  0  0  0
 23 22  1  0  0  0
 23 50  1  0  0  0
 23 51  1  0  0  0
 24 25  2  0  0  0
 25 26  1  0  0  0
 25 52  1  0  0  0
 27 18  1  0  0  0
 27 26  2  0  0  0
 28 29  1  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 29 53  1  0  0  0
 30 31  2  0  0  0
 30 54  1  0  0  0
 31 35  1  0  0  0
 32 31  1  0  0  0
 32 55  1  0  0  0
 33 32  2  0  0  0
 34 29  1  0  0  0
 34 38  1  0  0  0
 35 40  1  0  0  0
 35 39  2  0  0  0
 36 33  1  0  0  0
 36 41  1  0  0  0
 37 34  2  0  0  0
 42 36  2  0  0  0
M  CHG  1  34   1
M  CHG  1  35   1
M  CHG  1  36   1
M  CHG  1  38  -1
M  CHG  1  40  -1
M  CHG  1  41  -1
M  END
$$$$
