OLS
  CCTOOLS-0807261402

105116  0  0  1  0  0  0  0  0999 V2000
  -14.4810    1.0580   -8.0920 O   0  0  0  0  0
  -13.3060    0.8950   -8.4550 C   0  0  0  0  0
  -12.2090    1.1450   -7.7180 N   0  0  0  0  0
  -10.9750    0.8060   -8.3940 C   0  0  0  0  0
  -10.2410   -0.3700   -7.7490 C   0  0  0  0  0
  -10.8590   -1.8520   -8.5390 S   0  0  0  0  0
  -12.9040    0.4420   -9.6570 N   0  0  0  0  0
  -11.4650    0.3950   -9.8080 C   0  0  0  0  0
  -10.8440   -1.0060  -10.1490 C   0  0  0  0  0
  -11.4910   -1.8490  -11.2540 C   0  0  0  0  0
  -10.6500   -3.0030  -11.8150 C   0  0  0  0  0
  -11.2630   -3.7090  -13.0330 C   0  0  0  0  0
  -10.4610   -4.8660  -13.6220 C   0  0  0  0  0
   -9.3530   -4.4180  -14.5520 C   0  0  0  0  0
   -9.5960   -4.1810  -15.7440 O   0  0  0  0  0
   -8.1150   -4.2890  -14.0420 N   0  0  0  0  0
   -6.8960   -3.9400  -14.7630 C   0  0  0  0  0
   -6.2640   -5.1400  -15.4410 C   0  0  0  0  0
   -5.0930   -4.8140  -16.3450 C   0  0  0  0  0
   -5.2470   -4.9530  -17.5800 O   0  5  0  0  0
   -4.0240   -4.4550  -15.8050 O   0  0  0  0  0
   -3.1250   -2.6890  -16.4510 CO  0  0  0  0  0
   -2.2210   -4.1710  -17.5610 O   0  6  0  0  0
   -1.9250   -1.2930  -17.4550 O   0  6  0  0  0
   -1.7430   -2.7130  -14.7770 N   0  0  0  0  0
   -1.5110   -3.7940  -14.0220 C   0  0  0  0  0
   -0.7130   -3.7780  -12.9120 C   0  0  0  0  0
   -0.1180   -2.6070  -12.5490 C   0  0  0  0  0
   -0.3340   -1.4890  -13.2980 C   0  0  0  0  0
   -1.1430   -1.5790  -14.3960 C   0  0  0  0  0
   -1.0430   -2.8140  -18.5990 CO  0  0  0  0  0
    0.5950   -3.1350  -17.2610 N   0  0  0  0  0
    1.4320   -2.1590  -16.8980 C   0  0  0  0  0
    2.4750   -2.3500  -16.0340 C   0  0  0  0  0
    2.6770   -3.5940  -15.5140 C   0  0  0  0  0
    1.8380   -4.6090  -15.8680 C   0  0  0  0  0
    0.8180   -4.3450  -16.7370 C   0  0  0  0  0
   -4.7220   -2.3020  -17.9020 O   0  6  0  0  0
   -3.3320   -1.2850  -18.9070 CO  0  0  0  0  0
   -4.5100   -0.5100  -20.3870 N   0  0  0  0  0
   -4.1300   -0.5380  -21.6680 C   0  0  0  0  0
   -4.9000   -0.0560  -22.6900 C   0  0  0  0  0
   -6.1170    0.4840  -22.3940 C   0  0  0  0  0
   -6.5310    0.5270  -21.0950 C   0  0  0  0  0
   -5.7070    0.0260  -20.1260 C   0  0  0  0  0
   -0.1170   -1.4110  -19.8290 O   0  0  0  0  0
   -4.2730   -1.3930  -15.2980 O   0  0  0  0  0
   -2.6390   -2.8040  -20.0440 O   0  6  0  0  0
   -3.8980   -3.9620  -18.8420 CO  0  0  0  0  0
   -3.2510   -5.7510  -19.6800 O   0  0  0  0  0
   -0.3180   -4.3800  -19.7580 O   0  0  0  0  0
   -5.3290   -3.8350  -20.4070 N   0  0  0  0  0
   -6.6030   -3.4970  -20.1890 C   0  0  0  0  0
   -7.5320   -3.3950  -21.1870 C   0  0  0  0  0
   -7.1450   -3.6500  -22.4700 C   0  0  0  0  0
   -5.8510   -3.9980  -22.7210 C   0  0  0  0  0
   -4.9780   -4.0800  -21.6720 C   0  0  0  0  0
  -12.2550    1.4750   -6.9220 H   0  0  0  0  0
  -10.3870    1.5960   -8.4450 H   0  0  0  0  0
  -10.4180   -0.3970   -6.7760 H   0  0  0  0  0
   -9.2640   -0.2860   -7.8890 H   0  0  0  0  0
  -13.4720    0.2200  -10.2680 H   0  0  0  0  0
  -11.1800    1.0640  -10.4750 H   0  0  0  0  0
   -9.8880   -0.8560  -10.4050 H   0  0  0  0  0
  -11.7290   -1.2530  -11.9960 H   0  0  0  0  0
  -12.3270   -2.2220  -10.9030 H   0  0  0  0  0
  -10.5130   -3.6690  -11.1060 H   0  0  0  0  0
   -9.7640   -2.6610  -12.0680 H   0  0  0  0  0
  -11.4040   -3.0380  -13.7380 H   0  0  0  0  0
  -12.1500   -4.0470  -12.7780 H   0  0  0  0  0
  -11.0720   -5.4480  -14.1230 H   0  0  0  0  0
  -10.0760   -5.4000  -12.8930 H   0  0  0  0  0
   -8.0010   -4.4160  -13.1820 H   0  0  0  0  0
   -6.2540   -3.5520  -14.1340 H   0  0  0  0  0
   -7.1040   -3.2610  -15.4360 H   0  0  0  0  0
   -6.9440   -5.5990  -15.9710 H   0  0  0  0  0
   -5.9550   -5.7640  -14.7560 H   0  0  0  0  0
   -1.9180   -4.6050  -14.2680 H   0  0  0  0  0
   -0.5770   -4.5640  -12.4080 H   0  0  0  0  0
    0.4360   -2.5710  -11.7880 H   0  0  0  0  0
    0.0680   -0.6680  -13.0650 H   0  0  0  0  0
   -1.2910   -0.8040  -14.9090 H   0  0  0  0  0
    1.2950   -1.2990  -17.2560 H   0  0  0  0  0
    3.0430   -1.6330  -15.8030 H   0  0  0  0  0
    3.3880   -3.7510  -14.9170 H   0  0  0  0  0
    1.9590   -5.4780  -15.5200 H   0  0  0  0  0
    0.2400   -5.0470  -16.9800 H   0  0  0  0  0
   -3.2900   -0.9110  -21.8740 H   0  0  0  0  0
   -4.5940   -0.0960  -23.5810 H   0  0  0  0  0
   -6.6660    0.8230  -23.0800 H   0  0  0  0  0
   -7.3690    0.8960  -20.8680 H   0  0  0  0  0
   -5.9940    0.0560  -19.2290 H   0  0  0  0  0
   -6.8710   -3.3200  -19.3030 H   0  0  0  0  0
   -8.4220   -3.1530  -20.9910 H   0  0  0  0  0
   -7.7660   -3.5870  -23.1760 H   0  0  0  0  0
   -5.5620   -4.1790  -23.6010 H   0  0  0  0  0
   -4.0840   -4.3200  -21.8470 H   0  0  0  0  0
   -0.8670   -4.5370  -20.4050 H   0  0  0  0  0
    0.4370   -4.1530  -20.1100 H   0  0  0  0  0
   -3.8550   -6.3570  -19.5680 H   0  0  0  0  0
   -2.5390   -6.0190  -19.2710 H   0  0  0  0  0
   -0.3790   -0.6190  -19.6100 H   0  0  0  0  0
    0.7390   -1.4400  -19.7250 H   0  0  0  0  0
   -5.0400   -1.2740  -15.6760 H   0  0  0  0  0
   -3.8840   -0.6240  -15.2560 H   0  0  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 58  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  4 59  1  0  0  0
  5  6  1  0  0  0
  5 60  1  0  0  0
  5 61  1  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  7 62  1  0  0  0
  8  9  1  0  0  0
  8 63  1  0  0  0
  9 10  1  0  0  0
  9 64  1  0  0  0
 10 11  1  0  0  0
 10 65  1  0  0  0
 10 66  1  0  0  0
 11 12  1  0  0  0
 11 67  1  0  0  0
 11 68  1  0  0  0
 12 13  1  0  0  0
 12 69  1  0  0  0
 12 70  1  0  0  0
 13 14  1  0  0  0
 13 71  1  0  0  0
 13 72  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 16 17  1  0  0  0
 16 73  1  0  0  0
 17 18  1  0  0  0
 17 74  1  0  0  0
 17 75  1  0  0  0
 18 19  1  0  0  0
 18 76  1  0  0  0
 18 77  1  0  0  0
 19 20  1  0  0  0
 19 21  2  0  0  0
 20 49  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 22 24  1  0  0  0
 22 25  1  0  0  0
 22 38  1  0  0  0
 22 47  1  0  0  0
 23 31  1  0  0  0
 23 49  1  0  0  0
 24 31  1  0  0  0
 24 39  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 78  1  0  0  0
 27 28  2  0  0  0
 27 79  1  0  0  0
 28 29  1  0  0  0
 28 80  1  0  0  0
 29 30  2  0  0  0
 29 81  1  0  0  0
 30 82  1  0  0  0
 31 32  1  0  0  0
 31 46  1  0  0  0
 31 48  1  0  0  0
 31 51  1  0  0  0
 32 33  2  0  0  0
 32 37  1  0  0  0
 33 34  1  0  0  0
 33 83  1  0  0  0
 34 35  2  0  0  0
 34 84  1  0  0  0
 35 36  1  0  0  0
 35 85  1  0  0  0
 36 37  2  0  0  0
 36 86  1  0  0  0
 37 87  1  0  0  0
 38 39  1  0  0  0
 38 49  1  0  0  0
 39 40  1  0  0  0
 39 48  1  0  0  0
 40 41  2  0  0  0
 40 45  1  0  0  0
 41 42  1  0  0  0
 41 88  1  0  0  0
 42 43  2  0  0  0
 42 89  1  0  0  0
 43 44  1  0  0  0
 43 90  1  0  0  0
 44 45  2  0  0  0
 44 91  1  0  0  0
 45 92  1  0  0  0
 48 49  1  0  0  0
 49 50  1  0  0  0
 49 52  1  0  0  0
 52 53  2  0  0  0
 52 57  1  0  0  0
 53 54  1  0  0  0
 53 93  1  0  0  0
 54 55  2  0  0  0
 54 94  1  0  0  0
 55 56  1  0  0  0
 55 95  1  0  0  0
 56 57  2  0  0  0
 56 96  1  0  0  0
 57 97  1  0  0  0
 98 51  1  0  0  0
 99 51  1  0  0  0
100 50  1  0  0  0
101 50  1  0  0  0
102 46  1  0  0  0
103 46  1  0  0  0
104 47  1  0  0  0
105 47  1  0  0  0
M  CHG  1  20  -1
M  CHG  1  23  -2
M  CHG  1  24  -2
M  CHG  1  38  -2
M  CHG  1  48  -2
M  END
$$$$
