PL1
  CCTOOLS-0807261403

147155  0  0  1  0  0  0  0  0999 V2000
   -9.8240    0.0550    4.4590 C   0  0  0  0  0
   -8.9200    1.4090   -0.6170 C   0  0  0  0  0
   -7.9150    2.4230   -0.1280 C   0  0  0  0  0
   -5.7560    2.6890    1.0330 C   0  0  0  0  0
   -5.1070    2.2420    2.3590 C   0  0  0  0  0
   -9.3230   -0.1200    3.0230 C   0  0  0  0  0
   -4.7870    0.7920    2.5670 C   0  0  0  0  0
   -3.6450    0.2640    3.1290 C   0  0  0  0  0
   -5.0080   -1.3360    2.6140 C   0  0  0  0  0
   -8.9540   -1.5770    2.7260 C   0  0  0  0  0
   -4.7420    2.8120   -0.1090 C   0  0  0  0  0
   -4.0500    1.9290   -2.3670 C   0  0  0  0  0
   -2.8010    1.0090   -2.3880 C   0  0  0  0  0
   -1.6080    1.5120   -3.2440 C   0  0  0  0  0
   -0.2870    0.9130   -2.7380 C   0  0  0  0  0
    1.2840   -1.0260   -2.6030 C   0  0  0  0  0
    1.2380   -2.5740   -2.6430 C   0  0  0  0  0
   -9.1060   -4.6600    0.5830 C   0  0  0  0  0
    2.4820   -0.4790   -3.3980 C   0  0  0  0  0
    4.9040    0.1370   -3.3200 C   0  0  0  0  0
    4.9950    1.6540   -3.3980 C   0  0  0  0  0
    5.0080    2.3090   -2.0540 C   0  0  0  0  0
    4.4890    3.4350    0.0780 C   0  0  0  0  0
    5.8120    3.1430   -0.1140 C   0  0  0  0  0
    6.9290    3.4100    0.7770 C   0  0  0  0  0
    8.3930    4.0800    2.6250 C   0  0  0  0  0
    9.0220    3.4890    1.5720 C   0  0  0  0  0
   10.4880    3.2390    1.5020 C   0  0  0  0  0
   -9.7840   -3.3420    0.2640 C   0  0  0  0  0
   12.3200    2.3260    0.0470 C   0  0  0  0  0
   12.5670    0.8210    0.1540 C   0  0  0  0  0
   12.8800    0.2680    1.5380 C   0  0  0  0  0
   12.3280   -1.5210    3.2040 C   0  0  0  0  0
   13.1550   -2.7990    3.3310 C   0  0  0  0  0
   12.9250   -3.9210    2.5310 C   0  0  0  0  0
   13.6910   -5.0670    2.6730 C   0  0  0  0  0
   14.6880   -5.1200    3.6170 C   0  0  0  0  0
   -8.8230   -2.1320    0.2130 C   0  0  0  0  0
   14.9270   -4.0330    4.4210 C   0  0  0  0  0
   14.1680   -2.8810    4.2840 C   0  0  0  0  0
   -9.3680   -0.8580   -0.4200 C   0  0  0  0  0
  -10.7950    0.3930   -1.7320 C   0  0  0  0  0
  -10.0460    1.5720   -1.4510 C   0  0  0  0  0
  -10.4490    2.9050   -2.0380 C   0  0  0  0  0
   -5.1310    1.7120   -3.4360 C   0  0  0  0  0
   -1.7190    1.3280   -4.7760 C   0  0  0  0  0
    1.0090   -3.2340   -3.9890 C   0  0  0  0  0
   10.9420   -1.7020    3.8160 C   0  0  0  0  0
  -11.1350   -0.0000    4.6670 N   0  0  0  0  0
   -8.1890    0.7420    2.7030 N   0  0  0  0  0
   -8.1540   -1.7660    1.4910 N   0  0  0  0  0
   -8.6120   -5.3550   -0.4370 N   0  0  0  0  0
  -10.4380   -0.8070   -1.2110 N   0  0  0  0  0
  -11.9040    0.3610   -2.5010 N   0  0  0  0  0
   -8.6330    0.2010   -0.1350 N   0  0  0  0  0
   -6.9350    1.9100    0.6350 N   0  5  0  0  0
   -3.8040   -1.0980    3.1370 N   0  0  0  0  0
   -5.6230   -0.2160    2.2530 N   0  0  0  0  0
   -4.7090    1.8500   -1.0530 N   0  0  0  0  0
    0.0220   -0.3840   -2.9770 N   0  0  0  0  0
    3.6550   -0.3550   -2.7520 N   0  0  0  0  0
    6.0780    2.5120   -1.3140 N   0  0  0  0  0
    8.1790    3.1110    0.5350 N   0  0  0  0  0
   10.9300    2.6780    0.3610 N   0  0  0  0  0
   12.1530   -0.9900    1.8280 N   0  0  0  0  0
   -9.0140    0.2300    5.3690 O   0  0  0  0  0
   -7.9810    3.6150   -0.4430 O   0  0  0  0  0
   -6.2110   -0.4840   -0.3740 O   0  5  0  0  0
   -5.5250   -1.6620   -0.4130 O   0  0  0  0  0
   -3.9850    3.7960   -0.1010 O   0  0  0  0  0
    0.4630    1.6610   -2.1050 O   0  0  0  0  0
   -9.0270   -5.0610    1.7490 O   0  0  0  0  0
    2.3300   -0.1660   -4.5890 O   0  0  0  0  0
   11.2370    3.5270    2.4410 O   0  0  0  0  0
   -5.9910    2.6580    3.3980 O   0  0  0  0  0
   -3.1990   -0.3250   -2.7580 O   0  0  0  0  0
    2.4510   -3.0580   -2.0630 O   0  0  0  0  0
    3.5910    2.9080   -1.2730 S   0  0  0  0  0
    6.7210    4.1710    2.3060 S   0  0  0  0  0
   -7.2310    0.0060    1.1630 CO  0  0  0  0  0
   -6.0420    3.6240    1.1670 H   0  0  0  0  0
   -4.2650    2.7530    2.4580 H   0  0  0  0  0
  -10.0530    0.1340    2.4120 H   0  0  0  0  0
   -2.8850    0.7310    3.4470 H   0  0  0  0  0
   -5.3650   -2.2060    2.4940 H   0  0  0  0  0
   -9.7830   -2.1020    2.6920 H   0  0  0  0  0
   -8.4310   -1.9190    3.4850 H   0  0  0  0  0
   -3.7400    2.8570   -2.4900 H   0  0  0  0  0
   -2.4750    0.9480   -1.4520 H   0  0  0  0  0
   -1.5520    2.4910   -3.1260 H   0  0  0  0  0
    1.4410   -0.7790   -1.6560 H   0  0  0  0  0
    0.4860   -2.8340   -2.0570 H   0  0  0  0  0
    5.6460   -0.1910   -2.7740 H   0  0  0  0  0
    5.0060   -0.2300   -4.2210 H   0  0  0  0  0
    4.2310    1.9950   -3.9080 H   0  0  0  0  0
    5.8130    1.9010   -3.8770 H   0  0  0  0  0
    4.1200    3.8610    0.8300 H   0  0  0  0  0
    8.8090    4.3980    3.4100 H   0  0  0  0  0
  -10.4910   -3.1830    0.9020 H   0  0  0  0  0
  -10.2260   -3.4250   -0.5930 H   0  0  0  0  0
   12.5200    2.6190   -0.8650 H   0  0  0  0  0
   12.9250    2.8050    0.6500 H   0  0  0  0  0
   13.3090    0.5880   -0.4450 H   0  0  0  0  0
   11.7770    0.3540   -0.1980 H   0  0  0  0  0
   12.6500    0.9410    2.2150 H   0  0  0  0  0
   13.8450    0.1060    1.6020 H   0  0  0  0  0
   12.7820   -0.8240    3.7390 H   0  0  0  0  0
   12.2440   -3.8940    1.8770 H   0  0  0  0  0
   13.5250   -5.8140    2.1200 H   0  0  0  0  0
   15.2070   -5.9030    3.7130 H   0  0  0  0  0
   -8.0940   -2.4430   -0.3830 H   0  0  0  0  0
   15.6120   -4.0690    5.0690 H   0  0  0  0  0
   14.3440   -2.1410    4.8430 H   0  0  0  0  0
  -10.9100    2.7740   -2.8810 H   0  0  0  0  0
   -9.6610    3.4440   -2.2080 H   0  0  0  0  0
  -11.0330    3.3720   -1.4180 H   0  0  0  0  0
   -5.8270    2.3830   -3.3340 H   0  0  0  0  0
   -5.5220    0.8280   -3.3310 H   0  0  0  0  0
   -4.7380    1.7880   -4.3210 H   0  0  0  0  0
   -0.9130    1.6650   -5.2020 H   0  0  0  0  0
   -2.4880    1.8190   -5.1080 H   0  0  0  0  0
   -1.8230    0.3840   -4.9840 H   0  0  0  0  0
    0.9940   -4.2000   -3.8780 H   0  0  0  0  0
    1.7250   -2.9920   -4.6000 H   0  0  0  0  0
    0.1580   -2.9390   -4.3550 H   0  0  0  0  0
   10.4290   -2.3300    3.2800 H   0  0  0  0  0
   10.4820   -0.8460    3.8380 H   0  0  0  0  0
   11.0290   -2.0450    4.7210 H   0  0  0  0  0
  -11.4420    0.1060    5.4930 H   0  0  0  0  0
  -11.7210   -0.1450    4.0120 H   0  0  0  0  0
   -8.4840    1.5920    2.5850 H   0  0  0  0  0
   -7.6130    0.7570    3.4070 H   0  0  0  0  0
   -7.5490   -2.3970    1.6640 H   0  0  0  0  0
   -8.2150   -6.1320   -0.2780 H   0  0  0  0  0
   -8.6640   -5.0640   -1.2770 H   0  0  0  0  0
  -12.2780   -0.4140   -2.6680 H   0  0  0  0  0
  -12.3020    1.0660   -2.8190 H   0  0  0  0  0
   -3.2200   -1.6960    3.4370 H   0  0  0  0  0
   -5.0940    1.0940   -0.8710 H   0  0  0  0  0
   -0.5740   -0.8820   -3.3750 H   0  0  0  0  0
    3.7130   -0.5870   -1.9090 H   0  0  0  0  0
   10.3400    2.5050   -0.2540 H   0  0  0  0  0
   12.3870   -1.5970    1.2160 H   0  0  0  0  0
   -5.8160   -2.1490   -1.0700 H   0  0  0  0  0
   -5.6250    2.5440    4.1620 H   0  0  0  0  0
   -2.6440   -0.9080   -2.4460 H   0  0  0  0  0
    2.4010   -3.9020   -1.8670 H   0  0  0  0  0
  1  6  1  0  0  0
  1 49  1  0  0  0
  1 66  2  0  0  0
  2  3  1  0  0  0
  2 43  1  0  0  0
  2 55  2  0  0  0
  3 56  1  0  0  0
  3 67  2  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  4 56  1  0  0  0
  4 81  1  0  0  0
  5  7  1  0  0  0
  5 75  1  0  0  0
  5 82  1  0  0  0
  6 10  1  0  0  0
  6 50  1  0  0  0
  6 83  1  0  0  0
  7  8  2  0  0  0
  7 58  1  0  0  0
  8 57  1  0  0  0
  8 84  1  0  0  0
  9 57  1  0  0  0
  9 58  2  0  0  0
  9 85  1  0  0  0
 10 51  1  0  0  0
 10 86  1  0  0  0
 10 87  1  0  0  0
 11 59  1  0  0  0
 11 70  2  0  0  0
 12 13  1  0  0  0
 12 45  1  0  0  0
 12 59  1  0  0  0
 12 88  1  0  0  0
 13 14  1  0  0  0
 13 76  1  0  0  0
 13 89  1  0  0  0
 14 15  1  0  0  0
 14 46  1  0  0  0
 14 90  1  0  0  0
 15 60  1  0  0  0
 15 71  2  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 16 60  1  0  0  0
 16 91  1  0  0  0
 17 47  1  0  0  0
 17 77  1  0  0  0
 17 92  1  0  0  0
 18 29  1  0  0  0
 18 52  1  0  0  0
 18 72  2  0  0  0
 19 61  1  0  0  0
 19 73  2  0  0  0
 20 21  1  0  0  0
 20 61  1  0  0  0
 20 93  1  0  0  0
 20 94  1  0  0  0
 21 22  1  0  0  0
 21 95  1  0  0  0
 21 96  1  0  0  0
 22 62  2  0  0  0
 22 78  1  0  0  0
 23 24  2  0  0  0
 23 78  1  0  0  0
 23 97  1  0  0  0
 24 25  1  0  0  0
 24 62  1  0  0  0
 25 63  2  0  0  0
 25 79  1  0  0  0
 26 27  2  0  0  0
 26 79  1  0  0  0
 26 98  1  0  0  0
 27 28  1  0  0  0
 27 63  1  0  0  0
 28 64  1  0  0  0
 28 74  2  0  0  0
 29 38  1  0  0  0
 29 99  1  0  0  0
 29100  1  0  0  0
 30 31  1  0  0  0
 30 64  1  0  0  0
 30101  1  0  0  0
 30102  1  0  0  0
 31 32  1  0  0  0
 31103  1  0  0  0
 31104  1  0  0  0
 32 65  1  0  0  0
 32105  1  0  0  0
 32106  1  0  0  0
 33 34  1  0  0  0
 33 48  1  0  0  0
 33 65  1  0  0  0
 33107  1  0  0  0
 34 35  2  0  0  0
 34 40  1  0  0  0
 35 36  1  0  0  0
 35108  1  0  0  0
 36 37  2  0  0  0
 36109  1  0  0  0
 37 39  1  0  0  0
 37110  1  0  0  0
 38 41  1  0  0  0
 38 51  1  0  0  0
 38111  1  0  0  0
 39 40  2  0  0  0
 39112  1  0  0  0
 40113  1  0  0  0
 41 53  2  0  0  0
 41 55  1  0  0  0
 42 43  2  0  0  0
 42 53  1  0  0  0
 42 54  1  0  0  0
 43 44  1  0  0  0
 44114  1  0  0  0
 44115  1  0  0  0
 44116  1  0  0  0
 45117  1  0  0  0
 45118  1  0  0  0
 45119  1  0  0  0
 46120  1  0  0  0
 46121  1  0  0  0
 46122  1  0  0  0
 47123  1  0  0  0
 47124  1  0  0  0
 47125  1  0  0  0
 48126  1  0  0  0
 48127  1  0  0  0
 48128  1  0  0  0
 49129  1  0  0  0
 49130  1  0  0  0
 50131  1  0  0  0
 50132  1  0  0  0
 50 80  1  0  0  0
 51133  1  0  0  0
 52134  1  0  0  0
 52135  1  0  0  0
 54136  1  0  0  0
 54137  1  0  0  0
 55 80  1  0  0  0
 56 80  1  0  0  0
 57138  1  0  0  0
 58 80  1  0  0  0
 59139  1  0  0  0
 60140  1  0  0  0
 61141  1  0  0  0
 64142  1  0  0  0
 65143  1  0  0  0
 68 69  1  0  0  0
 68 80  1  0  0  0
 69144  1  0  0  0
 75145  1  0  0  0
 76146  1  0  0  0
 77147  1  0  0  0
 80 51  1  0  0  0
M  CHG  1  56  -1
M  CHG  1  68  -1
M  END
$$$$
