OL4
  CCTOOLS-0807261402

 94104  0  0  1  0  0  0  0  0999 V2000
  -14.4830    0.8170   -7.9760 O   0  0  0  0  0
  -13.3140    0.7050   -8.3730 C   0  0  0  0  0
  -12.2070    0.9860   -7.6620 N   0  0  0  0  0
  -10.9810    0.6990   -8.3750 C   0  0  0  0  0
  -10.1960   -0.4680   -7.7750 C   0  0  0  0  0
  -10.7760   -1.9480   -8.5950 S   0  0  0  0  0
  -12.9290    0.2880   -9.5930 N   0  0  0  0  0
  -11.4940    0.3050   -9.7860 C   0  0  0  0  0
  -10.8260   -1.0590  -10.1820 C   0  0  0  0  0
  -11.4610   -1.8930  -11.3000 C   0  0  0  0  0
  -10.5970   -3.0140  -11.8920 C   0  0  0  0  0
  -11.2060   -3.7190  -13.1130 C   0  0  0  0  0
  -10.3840   -4.8540  -13.7210 C   0  0  0  0  0
   -9.2920   -4.3760  -14.6530 C   0  0  0  0  0
   -9.5050   -4.2820  -15.8710 O   0  0  0  0  0
   -8.1000   -4.0650  -14.1120 N   0  0  0  0  0
   -6.8910   -3.6330  -14.8050 C   0  0  0  0  0
   -6.0150   -4.8000  -15.2120 C   0  0  0  0  0
   -4.9710   -4.4600  -16.2550 C   0  0  0  0  0
   -5.3080   -4.5210  -17.4590 O   0  5  0  0  0
   -3.8240   -4.1520  -15.8590 O   0  0  0  0  0
   -3.1080   -2.5470  -16.7910 CO  0  0  0  0  0
   -2.3640   -4.2510  -17.6860 O   0  6  0  0  0
   -1.5050   -1.5210  -17.3940 O   0  6  0  0  0
   -0.9070   -3.1180  -18.4080 CO  0  0  0  0  0
    0.6090   -3.6540  -17.1350 N   0  0  0  0  0
    1.2790   -2.7530  -16.4110 C   0  0  0  0  0
    2.3380   -3.0750  -15.6080 C   0  0  0  0  0
    2.7340   -4.3780  -15.5360 C   0  0  0  0  0
    2.0670   -5.3190  -16.2640 C   0  0  0  0  0
    1.0170   -4.9230  -17.0450 C   0  0  0  0  0
   -4.4760   -1.7940  -17.9980 O   0  6  0  0  0
   -3.0130   -1.0640  -19.1270 CO  0  0  0  0  0
   -4.1960   -0.3990  -20.6640 N   0  0  0  0  0
   -3.9590   -0.7270  -21.9380 C   0  0  0  0  0
   -4.7180   -0.2780  -22.9810 C   0  0  0  0  0
   -5.7710    0.5490  -22.7180 C   0  0  0  0  0
   -6.0350    0.9020  -21.4270 C   0  0  0  0  0
   -5.2320    0.4130  -20.4340 C   0  0  0  0  0
    0.1840   -3.2600  -20.0670 O   0  0  0  0  0
   -2.0640    0.6810  -18.9900 O   0  0  0  0  0
   -3.7240   -1.1210  -15.4540 O   0  0  0  0  0
   -2.4900   -2.7700  -20.0000 O   0  6  0  0  0
   -4.0110   -3.6530  -18.8540 CO  0  0  0  0  0
   -3.5970   -5.5610  -19.5840 O   0  0  0  0  0
   -5.6390   -3.4360  -20.2330 N   0  0  0  0  0
   -6.7800   -2.8310  -19.8860 C   0  0  0  0  0
   -7.8480   -2.7040  -20.7290 C   0  0  0  0  0
   -7.7540   -3.2180  -21.9880 C   0  0  0  0  0
   -6.6020   -3.8410  -22.3700 C   0  0  0  0  0
   -5.5750   -3.9310  -21.4730 C   0  0  0  0  0
  -12.2430    1.3050   -6.8610 H   0  0  0  0  0
  -10.4180    1.5090   -8.4220 H   0  0  0  0  0
  -10.3560   -0.5270   -6.8000 H   0  0  0  0  0
   -9.2260   -0.3450   -7.9290 H   0  0  0  0  0
  -13.5040    0.0500  -10.1910 H   0  0  0  0  0
  -11.2560    1.0020  -10.4420 H   0  0  0  0  0
   -9.8820   -0.8640  -10.4510 H   0  0  0  0  0
  -11.7190   -1.2860  -12.0270 H   0  0  0  0  0
  -12.2850   -2.2940  -10.9510 H   0  0  0  0  0
  -10.4300   -3.6860  -11.1950 H   0  0  0  0  0
   -9.7250   -2.6420  -12.1530 H   0  0  0  0  0
  -11.3680   -3.0440  -13.8090 H   0  0  0  0  0
  -12.0830   -4.0790  -12.8530 H   0  0  0  0  0
  -10.9870   -5.4440  -14.2220 H   0  0  0  0  0
   -9.9810   -5.3860  -13.0010 H   0  0  0  0  0
   -8.0160   -4.1150  -13.2410 H   0  0  0  0  0
   -6.3830   -3.0390  -14.2160 H   0  0  0  0  0
   -7.1420   -3.1220  -15.6020 H   0  0  0  0  0
   -6.5790   -5.5150  -15.5640 H   0  0  0  0  0
   -5.5580   -5.1470  -14.4210 H   0  0  0  0  0
    1.0080   -1.8520  -16.4600 H   0  0  0  0  0
    2.7850   -2.4080  -15.1130 H   0  0  0  0  0
    3.4600   -4.6260  -14.9900 H   0  0  0  0  0
    2.3230   -6.2260  -16.2290 H   0  0  0  0  0
    0.5580   -5.5750  -17.5480 H   0  0  0  0  0
   -3.2330   -1.2980  -22.1230 H   0  0  0  0  0
   -4.5170   -0.5340  -23.8660 H   0  0  0  0  0
   -6.3090    0.8720  -23.4190 H   0  0  0  0  0
   -6.7580    1.4720  -21.2220 H   0  0  0  0  0
   -5.4160    0.6570  -19.5440 H   0  0  0  0  0
   -6.8490   -2.4760  -19.0170 H   0  0  0  0  0
   -8.6350   -2.2700  -20.4440 H   0  0  0  0  0
   -8.4760   -3.1430  -22.5880 H   0  0  0  0  0
   -6.5150   -4.2040  -23.2360 H   0  0  0  0  0
   -4.7810   -4.3610  -21.7390 H   0  0  0  0  0
   -4.3300   -6.0040  -19.6910 H   0  0  0  0  0
   -3.2120   -5.5050  -20.3540 H   0  0  0  0  0
   -0.2840   -3.6290  -20.6910 H   0  0  0  0  0
    0.8650   -3.7710  -19.9210 H   0  0  0  0  0
   -4.4490   -1.3840  -15.0670 H   0  0  0  0  0
   -3.1250   -1.0240  -14.8400 H   0  0  0  0  0
   -2.4850    1.1960  -18.4410 H   0  0  0  0  0
   -1.2700    0.5610  -18.6760 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 52  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  4 53  1  0  0  0
  5  6  1  0  0  0
  5 54  1  0  0  0
  5 55  1  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  7 56  1  0  0  0
  8  9  1  0  0  0
  8 57  1  0  0  0
  9 10  1  0  0  0
  9 58  1  0  0  0
 10 11  1  0  0  0
 10 59  1  0  0  0
 10 60  1  0  0  0
 11 12  1  0  0  0
 11 61  1  0  0  0
 11 62  1  0  0  0
 12 13  1  0  0  0
 12 63  1  0  0  0
 12 64  1  0  0  0
 13 14  1  0  0  0
 13 65  1  0  0  0
 13 66  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 16 17  1  0  0  0
 16 67  1  0  0  0
 17 18  1  0  0  0
 17 68  1  0  0  0
 17 69  1  0  0  0
 18 19  1  0  0  0
 18 70  1  0  0  0
 18 71  1  0  0  0
 19 20  1  0  0  0
 19 21  2  0  0  0
 20 44  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 22 24  1  0  0  0
 22 32  1  0  0  0
 22 42  1  0  0  0
 23 25  1  0  0  0
 23 44  1  0  0  0
 24 25  1  0  0  0
 24 33  1  0  0  0
 25 40  1  0  0  0
 25 43  1  0  0  0
 25 26  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 72  1  0  0  0
 28 29  2  0  0  0
 28 73  1  0  0  0
 29 30  1  0  0  0
 29 74  1  0  0  0
 30 31  2  0  0  0
 30 75  1  0  0  0
 31 76  1  0  0  0
 32 33  1  0  0  0
 32 44  1  0  0  0
 33 34  1  0  0  0
 33 41  1  0  0  0
 33 43  1  0  0  0
 34 35  2  0  0  0
 34 39  1  0  0  0
 35 36  1  0  0  0
 35 77  1  0  0  0
 36 37  2  0  0  0
 36 78  1  0  0  0
 37 38  1  0  0  0
 37 79  1  0  0  0
 38 39  2  0  0  0
 38 80  1  0  0  0
 39 81  1  0  0  0
 43 44  1  0  0  0
 44 45  1  0  0  0
 44 46  1  0  0  0
 46 47  2  0  0  0
 46 51  1  0  0  0
 47 48  1  0  0  0
 47 82  1  0  0  0
 48 49  2  0  0  0
 48 83  1  0  0  0
 49 50  1  0  0  0
 49 84  1  0  0  0
 50 51  2  0  0  0
 50 85  1  0  0  0
 51 86  1  0  0  0
 87 45  1  0  0  0
 88 45  1  0  0  0
 89 40  1  0  0  0
 90 40  1  0  0  0
 91 42  1  0  0  0
 92 42  1  0  0  0
 93 41  1  0  0  0
 94 41  1  0  0  0
M  CHG  1  20  -1
M  CHG  1  23  -2
M  CHG  1  24  -2
M  CHG  1  32  -2
M  CHG  1  43  -2
M  END
$$$$
