ECT
  CCTOOLS-0529260941

 97105  0  0  1  0  0  0  0  0999 V2000
    8.3600   -1.2780   -0.0260 C   0  0  0  0  0
    8.8080   -2.5060   -0.8530 C   0  0  0  0  0
    7.6400   -3.4410   -1.1260 C   0  0  0  0  0
    7.0860   -4.2320   -0.1280 C   0  0  0  0  0
    7.4810   -4.2730    1.1770 O   0  0  0  0  0
    6.5580   -5.2340    1.7230 C   0  0  0  0  0
    5.6450   -5.7660    0.7440 O   0  0  0  0  0
    6.0370   -5.0910   -0.3710 C   0  0  0  0  0
    5.4830   -5.2270   -1.6260 C   0  0  0  0  0
    4.3540   -6.1680   -1.8650 C   0  0  0  0  0
    6.0190   -4.4540   -2.6560 C   0  0  0  0  0
    5.4940   -4.5730   -3.9130 O   0  0  0  0  0
    6.1230   -5.5480   -4.7010 C   0  0  0  0  0
    7.0600   -6.2560   -4.3570 O   0  0  0  0  0
    5.4780   -5.6010   -6.0540 C   0  0  0  0  0
    7.0800   -3.5520   -2.4130 C   0  0  0  0  0
    7.6770   -2.7410   -3.5420 C   0  0  0  0  0
    9.2280   -2.7650   -3.3080 C   0  0  0  0  0
    9.5600   -2.0430   -2.0580 N   0  0  0  0  0
    6.9790   -1.0310   -3.7340 S   0  0  0  0  0
    5.3280   -1.0400   -2.9260 C   0  0  0  0  0
    5.1940   -0.1490   -1.6450 C   0  0  0  0  0
    6.0670   -0.7280   -0.5120 C   0  0  0  0  0
    5.6300   -1.3510    0.4480 O   0  0  0  0  0
    7.3930   -0.5100   -0.7660 O   0  0  0  0  0
    3.7190   -0.1060   -1.1940 C   0  0  0  0  0
    2.9570   -1.2840   -1.0760 C   0  0  0  0  0
    1.6280   -1.2460   -0.6500 C   0  0  0  0  0
    0.9240   -2.4080   -0.5530 O   0  0  0  0  0
    0.9730   -3.0930    0.6970 C   0  0  0  0  0
    1.0350   -0.0310   -0.3280 C   0  0  0  0  0
   -0.2620    0.0210    0.0840 O   0  0  0  0  0
    1.7730    1.1450   -0.4210 C   0  0  0  0  0
    3.1140    1.1170   -0.8360 C   0  0  0  0  0
    3.8700    2.4150   -0.9400 C   0  0  0  0  0
    5.3770    2.2040   -0.9730 C   0  0  0  0  0
    5.7010    1.2020   -1.9800 N   0  0  0  0  0
   11.0120   -1.9840   -1.8040 C   0  0  0  0  0
   11.5640   -3.2190   -1.3180 O   0  0  0  0  0
   11.8390   -1.5710   -3.0440 C   0  0  0  0  0
   11.5380   -2.5430   -4.1090 N   0  0  0  0  0
   12.5030   -2.5290   -5.2030 C   0  0  0  0  0
   10.1310   -2.3710   -4.5390 C   0  0  0  0  0
    9.9120   -0.9870   -5.1130 C   0  0  0  0  0
    9.1010   -0.7910   -6.2410 C   0  0  0  0  0
    8.5000   -1.8500   -6.8590 O   0  0  0  0  0
    8.8860    0.4930   -6.7400 C   0  0  0  0  0
    8.0790    0.6740   -7.8250 O   0  0  0  0  0
    8.7010    0.6360   -9.1060 C   0  0  0  0  0
    9.4890    1.5890   -6.1270 C   0  0  0  0  0
    9.2650    2.9730   -6.6430 C   0  0  0  0  0
   10.3310    1.4010   -5.0320 C   0  0  0  0  0
   10.5620    0.1130   -4.5290 C   0  0  0  0  0
   11.5940   -0.0960   -3.4490 C   0  0  0  0  0
    7.9610   -1.5750    0.9510 H   0  0  0  0  0
    9.2080   -0.6160    0.1780 H   0  0  0  0  0
    9.4880   -3.0880   -0.2170 H   0  0  0  0  0
    7.1300   -6.0630    2.1560 H   0  0  0  0  0
    5.9790   -4.7520    2.5190 H   0  0  0  0  0
    4.3650   -6.9770   -1.1230 H   0  0  0  0  0
    3.3850   -5.6550   -1.8030 H   0  0  0  0  0
    4.4110   -6.6160   -2.8660 H   0  0  0  0  0
    4.4210   -5.8610   -5.9510 H   0  0  0  0  0
    5.9680   -6.3700   -6.6590 H   0  0  0  0  0
    5.5920   -4.6370   -6.5570 H   0  0  0  0  0
    7.4740   -3.2610   -4.4870 H   0  0  0  0  0
    9.4920   -3.8240   -3.1330 H   0  0  0  0  0
    5.0100   -2.0630   -2.7410 H   0  0  0  0  0
    4.6370   -0.6590   -3.6910 H   0  0  0  0  0
    3.3900   -2.2560   -1.2950 H   0  0  0  0  0
    1.8130   -2.7170    1.2860 H   0  0  0  0  0
    1.0890   -4.1660    0.5210 H   0  0  0  0  0
    0.0420   -2.9130    1.2380 H   0  0  0  0  0
   -0.4850    0.9180    0.3780 H   0  0  0  0  0
    1.2970    2.0880   -0.1650 H   0  0  0  0  0
    3.5440    2.9310   -1.8530 H   0  0  0  0  0
    3.6240    3.0600   -0.0880 H   0  0  0  0  0
    5.8740    3.1470   -1.2260 H   0  0  0  0  0
    5.7550    1.9080    0.0130 H   0  0  0  0  0
    5.3180    1.4940   -2.8800 H   0  0  0  0  0
   11.1970   -1.2480   -1.0120 H   0  0  0  0  0
   11.3840   -3.2340   -0.3690 H   0  0  0  0  0
   12.8960   -1.6790   -2.7620 H   0  0  0  0  0
   13.4550   -2.1170   -4.8590 H   0  0  0  0  0
   12.1310   -1.9140   -6.0280 H   0  0  0  0  0
   12.6720   -3.5440   -5.5720 H   0  0  0  0  0
    9.9320   -3.1090   -5.3290 H   0  0  0  0  0
    8.2080   -2.4970   -6.2000 H   0  0  0  0  0
    9.5390    1.3370   -9.1270 H   0  0  0  0  0
    7.9710    0.9020   -9.8750 H   0  0  0  0  0
    9.0710   -0.3750   -9.2920 H   0  0  0  0  0
    8.2180    3.1010   -6.9420 H   0  0  0  0  0
    9.5050    3.7240   -5.8810 H   0  0  0  0  0
    9.9040    3.1810   -7.5100 H   0  0  0  0  0
   10.8330    2.2600   -4.5960 H   0  0  0  0  0
   12.5420    0.2970   -3.8420 H   0  0  0  0  0
   11.3310    0.5070   -2.5720 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 55  1  0  0  0
  1 56  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 57  1  0  0  0
  3  4  2  0  0  0
  3 16  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 58  1  0  0  0
  6 59  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 10 60  1  0  0  0
 10 61  1  0  0  0
 10 62  1  0  0  0
 11 12  1  0  0  0
 11 16  2  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 15 63  1  0  0  0
 15 64  1  0  0  0
 15 65  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 17 66  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 18 67  1  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 68  1  0  0  0
 21 69  1  0  0  0
 22 23  1  0  0  0
 22 26  1  0  0  0
 22 37  1  0  0  0
 23 24  2  0  0  0
 23 25  1  0  0  0
 26 27  2  0  0  0
 26 34  1  0  0  0
 27 28  1  0  0  0
 27 70  1  0  0  0
 28 29  1  0  0  0
 28 31  2  0  0  0
 29 30  1  0  0  0
 30 71  1  0  0  0
 30 72  1  0  0  0
 30 73  1  0  0  0
 31 32  1  0  0  0
 31 33  1  0  0  0
 32 74  1  0  0  0
 33 34  2  0  0  0
 33 75  1  0  0  0
 34 35  1  0  0  0
 35 36  1  0  0  0
 35 76  1  0  0  0
 35 77  1  0  0  0
 36 37  1  0  0  0
 36 78  1  0  0  0
 36 79  1  0  0  0
 37 80  1  0  0  0
 38 39  1  0  0  0
 38 40  1  0  0  0
 38 81  1  0  0  0
 39 82  1  0  0  0
 40 41  1  0  0  0
 40 54  1  0  0  0
 40 83  1  0  0  0
 41 42  1  0  0  0
 41 43  1  0  0  0
 42 84  1  0  0  0
 42 85  1  0  0  0
 42 86  1  0  0  0
 43 44  1  0  0  0
 43 87  1  0  0  0
 44 45  2  0  0  0
 44 53  1  0  0  0
 45 46  1  0  0  0
 45 47  1  0  0  0
 46 88  1  0  0  0
 47 48  1  0  0  0
 47 50  2  0  0  0
 48 49  1  0  0  0
 49 89  1  0  0  0
 49 90  1  0  0  0
 49 91  1  0  0  0
 50 51  1  0  0  0
 50 52  1  0  0  0
 51 92  1  0  0  0
 51 93  1  0  0  0
 51 94  1  0  0  0
 52 53  2  0  0  0
 52 95  1  0  0  0
 53 54  1  0  0  0
 54 96  1  0  0  0
 54 97  1  0  0  0
M  END
$$$$
