A1JCA
  CCTOOLS-0130261004

 97 99  0  0  1  0  0  0  0  0999 V2000
    0.8090   -4.0090   -0.7960 C   0  0  0  0  0
   -6.5070   -1.1520   -0.5140 C   0  0  0  0  0
   -6.7810    0.0540    0.3870 C   0  0  0  0  0
   -7.1310    2.3230    0.3980 C   0  0  0  0  0
   -7.1440    3.5380   -1.8140 C   0  0  0  0  0
   -7.4510    5.5910   -1.1900 C   0  0  0  0  0
   -7.6420    6.9760   -1.0450 C   0  0  0  0  0
   -7.7590    6.6860    1.2420 C   0  0  0  0  0
   -7.4270    4.8000   -0.0290 C   0  0  0  0  0
   -8.5330    1.7250    0.6520 C   0  0  0  0  0
   -8.2970    0.1980    0.6450 C   0  0  0  0  0
   14.6790    4.4920    0.0780 C   0  0  0  0  0
   15.0450    3.0070    0.0900 C   0  0  0  0  0
   15.5480    2.6510    1.3790 O   0  0  0  0  0
   16.1150    2.7360   -0.9690 C   0  0  0  0  0
   17.2780    3.5140   -0.6800 O   0  0  0  0  0
   13.8180    2.1850   -0.2140 C   0  0  0  0  0
   13.5970    1.8240   -1.3510 O   0  0  0  0  0
   12.7380    1.7620    1.0440 S   0  0  0  0  0
   11.5140    0.8170    0.1030 C   0  0  0  0  0
   10.4160    0.3210    1.0470 C   0  0  0  0  0
    9.4260   -0.4440    0.2860 N   0  0  0  0  0
    8.3610   -0.9810    0.9140 C   0  0  0  0  0
    8.2230   -0.8310    2.1090 O   0  0  0  0  0
    7.3430   -1.7680    0.1300 C   0  0  0  0  0
    6.2450   -2.2630    1.0740 C   0  0  0  0  0
    5.2550   -3.0280    0.3120 N   0  0  0  0  0
    4.1900   -3.5660    0.9400 C   0  0  0  0  0
    4.1000   -3.4960    2.1480 O   0  0  0  0  0
    3.1120   -4.2530    0.1420 C   0  0  0  0  0
    3.5640   -4.4480   -1.1990 O   0  0  0  0  0
    1.8520   -3.3850    0.1340 C   0  0  0  0  0
    2.2030   -1.9810   -0.3610 C   0  0  0  0  0
    1.2840   -3.2990    1.5520 C   0  0  0  0  0
   -0.3680   -3.1990   -0.8030 O   0  0  0  0  0
   -1.6730   -3.5560   -1.6760 P   0  0  0  0  0
   -2.1280   -4.9240   -1.3450 O   0  0  0  0  0
   -1.3090   -3.4750   -3.2420 O   0  0  0  0  0
   -2.8460   -2.5050   -1.3420 O   0  0  0  0  0
   -4.4450   -2.5180   -1.5260 P   0  0  0  0  0
   -4.9820   -3.8220   -1.0770 O   0  0  0  0  0
   -4.8090   -2.2940   -3.0780 O   0  0  0  0  0
   -5.0960   -1.3370   -0.6460 O   0  0  0  0  0
   -6.4020    1.2770   -0.2810 O   0  0  0  0  0
   -7.2300    3.5110   -0.4540 N   0  0  0  0  0
   -7.2710    4.7600   -2.2440 N   0  0  0  0  0
   -7.6750    7.8060   -2.1520 N   0  0  0  0  0
   -7.7900    7.4700    0.1800 N   0  0  0  0  0
   -7.5840    5.3840    1.1550 N   0  0  0  0  0
   -9.0350    2.1480    1.9220 O   0  0  0  0  0
   -8.6460   -0.3680    1.9100 O   0  0  0  0  0
   -9.6920   -1.5820    2.0680 P   0  0  0  0  0
  -10.9740   -1.2160    1.4240 O   0  0  0  0  0
   -9.0950   -2.9010    1.3650 O   0  0  0  0  0
   -9.9420   -1.8740    3.6320 O   0  0  0  0  0
    1.2140   -4.0710   -1.8060 H   0  0  0  0  0
    0.5590   -5.0090   -0.4430 H   0  0  0  0  0
   -6.9510   -2.0440   -0.0720 H   0  0  0  0  0
   -6.9440   -0.9780   -1.4970 H   0  0  0  0  0
   -6.2440   -0.0480    1.3290 H   0  0  0  0  0
   -6.6470    2.5710    1.3420 H   0  0  0  0  0
   -6.9880    2.6730   -2.4420 H   0  0  0  0  0
   -7.8840    7.1290    2.2190 H   0  0  0  0  0
   -9.2200    2.0100   -0.1450 H   0  0  0  0  0
   -8.8680   -0.2720   -0.1560 H   0  0  0  0  0
   15.5660    5.0870    0.2980 H   0  0  0  0  0
   14.2950    4.7640   -0.9060 H   0  0  0  0  0
   13.9170    4.6860    0.8320 H   0  0  0  0  0
   15.8000    1.7210    1.4600 H   0  0  0  0  0
   16.3760    1.6770   -0.9600 H   0  0  0  0  0
   15.7310    3.0070   -1.9520 H   0  0  0  0  0
   18.0000    3.3930   -1.3120 H   0  0  0  0  0
   11.0730    1.4550   -0.6630 H   0  0  0  0  0
   11.9990   -0.0370   -0.3690 H   0  0  0  0  0
   10.8570   -0.3160    1.8140 H   0  0  0  0  0
    9.9310    1.1750    1.5200 H   0  0  0  0  0
    9.5360   -0.5630   -0.6710 H   0  0  0  0  0
    6.9020   -1.1300   -0.6360 H   0  0  0  0  0
    7.8280   -2.6220   -0.3430 H   0  0  0  0  0
    6.6860   -2.9010    1.8400 H   0  0  0  0  0
    5.7600   -1.4100    1.5470 H   0  0  0  0  0
    5.3650   -3.1480   -0.6440 H   0  0  0  0  0
    2.8860   -5.2190    0.5930 H   0  0  0  0  0
    3.7850   -3.6290   -1.6640 H   0  0  0  0  0
    1.3050   -1.3630   -0.3670 H   0  0  0  0  0
    2.9450   -1.5370    0.3010 H   0  0  0  0  0
    2.6070   -2.0430   -1.3720 H   0  0  0  0  0
    1.1070   -4.3040    1.9350 H   0  0  0  0  0
    1.9950   -2.7840    2.1980 H   0  0  0  0  0
    0.3440   -2.7460    1.5340 H   0  0  0  0  0
   -1.0030   -2.6050   -3.5310 H   0  0  0  0  0
   -4.4880   -1.4570   -3.4400 H   0  0  0  0  0
   -7.5660    7.4330   -3.0410 H   0  0  0  0  0
   -7.8070    8.7600   -2.0390 H   0  0  0  0  0
   -9.1440    3.1060    2.0020 H   0  0  0  0  0
   -8.2540   -3.1990    1.7370 H   0  0  0  0  0
  -10.5640   -2.5950    3.8030 H   0  0  0  0  0
  1 32  1  0  0  0
  1 56  1  0  0  0
  1 57  1  0  0  0
  2 43  1  0  0  0
  2 58  1  0  0  0
  2 59  1  0  0  0
  3 11  1  0  0  0
  3  2  1  0  0  0
  3 60  1  0  0  0
  4 44  1  0  0  0
  4 10  1  0  0  0
  4 61  1  0  0  0
  5 62  1  0  0  0
  6  9  1  0  0  0
  6 46  1  0  0  0
  7  6  2  0  0  0
  8 49  1  0  0  0
  8 63  1  0  0  0
  9 45  1  0  0  0
 10 11  1  0  0  0
 10 64  1  0  0  0
 11 65  1  0  0  0
 12 66  1  0  0  0
 12 67  1  0  0  0
 12 68  1  0  0  0
 13 14  1  0  0  0
 13 12  1  0  0  0
 14 69  1  0  0  0
 15 16  1  0  0  0
 15 13  1  0  0  0
 15 70  1  0  0  0
 15 71  1  0  0  0
 16 72  1  0  0  0
 17 18  2  0  0  0
 17 13  1  0  0  0
 19 17  1  0  0  0
 20 19  1  0  0  0
 20 73  1  0  0  0
 20 74  1  0  0  0
 21 20  1  0  0  0
 21 75  1  0  0  0
 21 76  1  0  0  0
 22 23  1  0  0  0
 22 21  1  0  0  0
 22 77  1  0  0  0
 23 24  2  0  0  0
 25 23  1  0  0  0
 25 26  1  0  0  0
 25 78  1  0  0  0
 25 79  1  0  0  0
 26 80  1  0  0  0
 26 81  1  0  0  0
 27 26  1  0  0  0
 27 82  1  0  0  0
 28 27  1  0  0  0
 29 28  2  0  0  0
 30 31  1  0  0  0
 30 28  1  0  0  0
 30 32  1  0  0  0
 30 83  1  0  0  0
 31 84  1  0  0  0
 32 33  1  0  0  0
 33 85  1  0  0  0
 33 86  1  0  0  0
 33 87  1  0  0  0
 34 32  1  0  0  0
 34 88  1  0  0  0
 34 89  1  0  0  0
 34 90  1  0  0  0
 35  1  1  0  0  0
 36 38  1  0  0  0
 36 35  1  0  0  0
 37 36  2  0  0  0
 38 91  1  0  0  0
 39 36  1  0  0  0
 40 42  1  0  0  0
 40 39  1  0  0  0
 41 40  2  0  0  0
 42 92  1  0  0  0
 43 40  1  0  0  0
 44  3  1  0  0  0
 45  5  1  0  0  0
 45  4  1  0  0  0
 46  5  2  0  0  0
 47  7  1  0  0  0
 47 93  1  0  0  0
 47 94  1  0  0  0
 48  8  2  0  0  0
 48  7  1  0  0  0
 49  9  2  0  0  0
 50 10  1  0  0  0
 50 95  1  0  0  0
 51 11  1  0  0  0
 51 52  1  0  0  0
 52 54  1  0  0  0
 53 52  2  0  0  0
 54 96  1  0  0  0
 55 52  1  0  0  0
 55 97  1  0  0  0
M  END
$$$$
