ZXS
  CCTOOLS-0807261402

 86 92  0  0  1  0  0  0  0  0999 V2000
    0.8220   -2.4890    3.0410 C   0  0  0  0  0
    1.5870   -1.7840    2.2070 C   0  0  0  0  0
    1.9690   -2.2150    0.8260 C   0  0  0  0  0
    1.0320   -1.7440   -0.2020 N   0  0  0  0  0
    1.6670   -0.3650   -1.4260 CU  0  0  0  0  0
   -2.2300   -2.2810    0.5780 MO  0  0  0  0  0
   -1.1700   -1.5040   -1.5500 S   0  5  0  0  0
   -0.2180   -2.1760   -0.3640 C   0  0  0  0  0
   -0.7410   -3.0080    0.3660 O   0  5  0  0  0
    0.3520   -2.0350    4.3860 C   0  0  0  0  0
   -3.1170   -2.8030   -0.7260 O   0  6  0  0  0
    5.6780   -1.2490    1.6730 N   0  0  0  0  0
    5.9760   -2.3480    2.4930 C   0  0  0  0  0
    6.6300   -3.4090    1.9600 N   0  0  0  0  0
    6.9960   -3.4150    0.6710 C   0  0  0  0  0
    6.7080   -2.3090   -0.1740 C   0  0  0  0  0
    6.0610   -1.2630    0.3620 C   0  0  0  0  0
    5.6390   -2.3360    3.6850 O   0  0  0  0  0
    7.6340   -4.4850    0.2080 N   0  0  0  0  0
    4.9600   -0.0820    2.2840 C   0  0  0  0  0
    5.9110    1.0190    2.7880 C   0  0  0  0  0
    5.5850    1.3490    4.1280 O   0  0  0  0  0
    5.6770    2.1550    1.7760 C   0  0  0  0  0
    4.2310    1.9190    1.3180 C   0  0  0  0  0
    4.0860    0.4830    1.3310 O   0  0  0  0  0
    5.8310    3.4400    2.3700 O   0  0  0  0  0
    3.8670    2.4670   -0.0420 C   0  0  0  0  0
    2.4350    2.4250   -0.2060 O   0  0  0  0  0
    1.7590    2.7970   -1.5860 P   0  0  0  0  0
    2.1280    1.9170   -2.7170 O   0  0  0  0  0
    1.9940    4.2780   -1.8460 O   0  0  0  0  0
    0.2010    2.6570   -1.2940 O   0  0  0  0  0
   -0.9160    3.6670   -0.7660 P   0  0  0  0  0
   -0.3900    5.0480   -0.8040 O   0  0  0  0  0
   -1.2530    3.1870    0.6390 O   0  0  0  0  0
   -2.1840    3.4230   -1.6910 O   0  0  0  0  0
   -2.7580    2.1360   -2.0050 C   0  0  0  0  0
   -3.9020    1.8040   -1.0320 C   0  0  0  0  0
   -3.6720    0.6650   -0.0480 C   0  0  0  0  0
   -2.2090    0.2540    0.6810 S   0  5  0  0  0
   -4.6800   -0.1330    0.3100 C   0  0  0  0  0
   -4.2970   -1.4740    1.2300 S   0  5  0  0  0
   -6.1220    0.1740   -0.0810 C   0  0  0  0  0
   -6.1430    0.6670   -1.5570 C   0  0  0  0  0
   -5.0660    1.5780   -1.8620 O   0  0  0  0  0
   -6.9930   -0.9860    0.1070 N   0  0  0  0  0
   -7.1120   -1.9570   -0.8690 C   0  0  0  0  0
   -6.0810   -0.4740   -2.4680 N   0  0  0  0  0
   -6.6010   -1.6950   -2.1560 C   0  0  0  0  0
   -6.6680   -2.6070   -3.1580 N   0  0  0  0  0
   -7.1910   -3.8050   -2.8810 C   0  0  0  0  0
   -7.2550   -4.7220   -3.8430 N   0  0  0  0  0
   -7.6720   -4.1420   -1.6460 N   0  0  0  0  0
   -7.6530   -3.2590   -0.5720 C   0  0  0  0  0
   -8.0980   -3.6110    0.5150 O   0  0  0  0  0
    0.5590   -3.3510    2.7480 H   0  0  0  0  0
    1.9130   -0.9640    2.5060 H   0  0  0  0  0
    2.0180   -3.1750    0.7880 H   0  0  0  0  0
    2.8440   -1.8680    0.6300 H   0  0  0  0  0
    0.7530   -1.1800    4.6140 H   0  0  0  0  0
    0.5990   -2.6930    5.0560 H   0  0  0  0  0
   -0.6150   -1.9390    4.3760 H   0  0  0  0  0
    6.9630   -2.3080   -1.0810 H   0  0  0  0  0
    5.8620   -0.5210   -0.1760 H   0  0  0  0  0
    7.8040   -5.1590    0.7420 H   0  0  0  0  0
    7.8900   -4.5250   -0.6300 H   0  0  0  0  0
    4.4140   -0.3930    3.0530 H   0  0  0  0  0
    6.8430    0.7090    2.7340 H   0  0  0  0  0
    6.1570    1.8720    4.4550 H   0  0  0  0  0
    6.3110    2.0540    1.0180 H   0  0  0  0  0
    3.6050    2.3110    1.9830 H   0  0  0  0  0
    5.8420    4.0420    1.7820 H   0  0  0  0  0
    4.3030    1.9230   -0.7460 H   0  0  0  0  0
    4.1860    3.4030   -0.1260 H   0  0  0  0  0
    1.6400    4.5580   -2.6090 H   0  0  0  0  0
   -1.8720    3.6810    1.0370 H   0  0  0  0  0
   -2.0720    1.4380   -1.9560 H   0  0  0  0  0
   -3.1070    2.1470   -2.9240 H   0  0  0  0  0
   -4.0710    2.6100   -0.4750 H   0  0  0  0  0
   -6.9560   -4.5380   -4.6480 H   0  0  0  0  0
   -7.5940   -5.5160   -3.6820 H   0  0  0  0  0
   -6.4640    0.9110    0.4870 H   0  0  0  0  0
   -6.9990    1.1330   -1.7200 H   0  0  0  0  0
   -8.0070   -4.9460   -1.5220 H   0  0  0  0  0
   -5.6900   -0.3750   -3.2550 H   0  0  0  0  0
   -7.4450   -1.0720    0.8450 H   0  0  0  0  0
  1  2  2  0  0  0
  1 10  1  0  0  0
  1 56  1  0  0  0
  2  3  1  0  0  0
  2 57  1  0  0  0
  3  4  1  0  0  0
  3 58  1  0  0  0
  3 59  1  0  0  0
  4  5  1  0  0  0
  4  8  2  0  0  0
  6 42  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6  9  1  0  0  0
  6 11  2  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
 10 60  1  0  0  0
 10 61  1  0  0  0
 10 62  1  0  0  0
 12 17  1  0  0  0
 12 20  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 18  2  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 19  1  0  0  0
 16 17  2  0  0  0
 16 63  1  0  0  0
 17 64  1  0  0  0
 19 65  1  0  0  0
 19 66  1  0  0  0
 20 25  1  0  0  0
 20 21  1  0  0  0
 20 67  1  0  0  0
 21 23  1  0  0  0
 21 22  1  0  0  0
 21 68  1  0  0  0
 22 69  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 23 70  1  0  0  0
 24 27  1  0  0  0
 24 25  1  0  0  0
 24 71  1  0  0  0
 26 72  1  0  0  0
 27 28  1  0  0  0
 27 73  1  0  0  0
 27 74  1  0  0  0
 28 29  1  0  0  0
 29 30  2  0  0  0
 29 31  1  0  0  0
 29 32  1  0  0  0
 31 75  1  0  0  0
 32 33  1  0  0  0
 33 36  1  0  0  0
 33 34  2  0  0  0
 33 35  1  0  0  0
 35 76  1  0  0  0
 36 37  1  0  0  0
 37 38  1  0  0  0
 37 77  1  0  0  0
 37 78  1  0  0  0
 38 45  1  0  0  0
 38 39  1  0  0  0
 38 79  1  0  0  0
 39 40  1  0  0  0
 39 41  2  0  0  0
 41 42  1  0  0  0
 41 43  1  0  0  0
 43 46  1  0  0  0
 43 44  1  0  0  0
 43 82  1  0  0  0
 44 48  1  0  0  0
 44 45  1  0  0  0
 44 83  1  0  0  0
 46 47  1  0  0  0
 47 49  2  0  0  0
 47 54  1  0  0  0
 48 49  1  0  0  0
 49 50  1  0  0  0
 50 51  2  0  0  0
 51 52  1  0  0  0
 51 53  1  0  0  0
 52 80  1  0  0  0
 52 81  1  0  0  0
 53 54  1  0  0  0
 53 84  1  0  0  0
 54 55  2  0  0  0
 85 48  1  0  0  0
 86 46  1  0  0  0
M  CHG  1   7  -1
M  CHG  1   9  -1
M  CHG  1  11  -2
M  CHG  1  40  -1
M  CHG  1  42  -1
M  END
$$$$
