A1JZ1
  CCTOOLS-0724261005

112114  0  0  1  0  0  0  0  0999 V2000
   11.4080    0.9040    0.0050 C   0  0  0  0  0
   11.0380    0.8630   -1.1490 O   0  0  0  0  0
   12.6800    1.6290    0.3630 C   0  0  0  0  0
   13.3040    2.2180   -0.9030 C   0  0  0  0  0
   12.4370    3.2190   -1.4400 O   0  0  0  0  0
   14.6360    2.8370   -0.5650 C   0  0  0  0  0
   15.7280    2.3980   -1.1410 C   0  0  0  0  0
   17.0600    3.0170   -0.8030 C   0  0  0  0  0
   18.0280    1.9240   -0.3450 C   0  0  0  0  0
   19.3800    2.5520   -0.0020 C   0  0  0  0  0
   20.3480    1.4590    0.4560 C   0  0  0  0  0
   21.7010    2.0880    0.7990 C   0  0  0  0  0
   -5.3450    7.8140    0.5190 N   0  0  0  0  0
   -7.8950   -3.6990   -0.5380 O   0  0  0  0  0
   -6.7080   -2.6730   -0.9020 P   0  0  0  0  0
   -7.2810    2.9940    0.4750 C   0  0  0  0  0
   10.4830    0.1440    1.2290 S   0  0  0  0  0
   -6.0320    7.1920    1.4590 C   0  0  0  0  0
   -6.6600   -2.4750   -2.3680 O   0  0  0  0  0
   -4.2830   -4.3760   -0.9790 P   0  0  0  0  0
   -8.7950    3.1470    0.2070 C   0  0  0  0  0
   -9.4230    3.8560    1.2770 O   0  0  0  0  0
    9.1280   -0.5220    0.2300 C   0  0  0  0  0
   -6.4680    5.9580    1.3170 N   0  0  0  0  0
   -5.3040   -3.2760   -0.3960 O   0  0  0  0  0
   -9.3120    1.6930    0.1400 C   0  0  0  0  0
  -10.2770    1.4570    1.1670 O   0  0  0  0  0
  -11.7840    0.9800    0.8620 P   0  0  0  0  0
    8.1440   -1.2660    1.1360 C   0  0  0  0  0
   -6.2270    5.2790    0.2000 C   0  0  0  0  0
   -4.8940   -5.8480   -0.7520 O   0  0  0  0  0
   -8.0500    0.8340    0.3740 C   0  0  0  0  0
   -6.9490    1.6800   -0.0230 O   0  0  0  0  0
    7.0480   -1.8050    0.3280 N   0  0  0  0  0
   -5.4990    5.8970   -0.8310 C   0  0  0  0  0
   -4.0820   -4.1430   -2.4270 O   0  0  0  0  0
   -8.0940   -0.4260   -0.4940 C   0  0  0  0  0
   -6.9790   -1.2610   -0.1780 O   0  0  0  0  0
    6.0570   -2.5030    0.9160 C   0  0  0  0  0
    6.0730   -2.6850    2.1150 O   0  0  0  0  0
   -5.0560    7.2160   -0.6320 C   0  0  0  0  0
   -4.3340    7.8760   -1.6110 N   0  0  0  0  0
   -2.8710   -4.2560   -0.2150 O   0  0  0  0  0
    4.9290   -3.0570    0.0850 C   0  0  0  0  0
   -5.3960    4.9990   -1.8400 N   0  0  0  0  0
  -12.5610    2.1380    0.0580 O   0  0  0  0  0
    3.9450   -3.8010    0.9910 C   0  0  0  0  0
   -6.0000    3.8970   -1.5030 C   0  0  0  0  0
  -11.7560   -0.2540    0.0460 O   0  0  0  0  0
    2.8490   -4.3400    0.1830 N   0  0  0  0  0
   -6.5290    4.0200   -0.2530 N   0  0  0  0  0
  -12.5460    0.6870    2.2500 O   0  0  0  0  0
    1.8580   -5.0380    0.7710 C   0  0  0  0  0
    1.9200   -5.3000    1.9540 O   0  0  0  0  0
    0.6720   -5.4940   -0.0400 C   0  0  0  0  0
    0.9480   -5.3130   -1.4300 O   0  0  0  0  0
   -0.5570   -4.6690    0.3470 C   0  0  0  0  0
   -1.7230   -5.0270   -0.5770 C   0  0  0  0  0
   -0.9420   -4.9760    1.7960 C   0  0  0  0  0
   -0.2360   -3.1790    0.2100 C   0  0  0  0  0
   12.4550    2.4320    1.0650 H   0  0  0  0  0
   13.3800    0.9300    0.8220 H   0  0  0  0  0
   13.4480    1.4280   -1.6400 H   0  0  0  0  0
   12.2650    3.9550   -0.8380 H   0  0  0  0  0
   14.6910    3.6430    0.1530 H   0  0  0  0  0
   15.6730    1.5920   -1.8590 H   0  0  0  0  0
   17.4640    3.5140   -1.6850 H   0  0  0  0  0
   16.9290    3.7450   -0.0030 H   0  0  0  0  0
   17.6240    1.4270    0.5370 H   0  0  0  0  0
   18.1580    1.1950   -1.1450 H   0  0  0  0  0
   19.7840    3.0490   -0.8840 H   0  0  0  0  0
   19.2500    3.2810    0.7980 H   0  0  0  0  0
   19.9440    0.9620    1.3380 H   0  0  0  0  0
   20.4790    0.7310   -0.3440 H   0  0  0  0  0
   21.5700    2.8160    1.5990 H   0  0  0  0  0
   22.3900    1.3090    1.1250 H   0  0  0  0  0
   22.1050    2.5850   -0.0830 H   0  0  0  0  0
   -7.9850   -3.8760    0.4080 H   0  0  0  0  0
   -7.0740    3.0590    1.5430 H   0  0  0  0  0
   -6.2460    7.7150    2.3800 H   0  0  0  0  0
   -8.9660    3.6580   -0.7400 H   0  0  0  0  0
   -9.0910    4.7560    1.4010 H   0  0  0  0  0
    8.6110    0.2960   -0.2730 H   0  0  0  0  0
    9.5290   -1.2100   -0.5140 H   0  0  0  0  0
   -9.7420    1.4850   -0.8400 H   0  0  0  0  0
    8.6610   -2.0830    1.6390 H   0  0  0  0  0
    7.7430   -0.5770    1.8800 H   0  0  0  0  0
   -5.0520   -6.0690    0.1760 H   0  0  0  0  0
   -7.9630    0.5670    1.4270 H   0  0  0  0  0
    7.0350   -1.6590   -0.6310 H   0  0  0  0  0
   -9.0200   -0.9670   -0.3010 H   0  0  0  0  0
   -8.0500   -0.1430   -1.5460 H   0  0  0  0  0
   -4.1290    7.4280   -2.4470 H   0  0  0  0  0
   -4.0330    8.7860   -1.4620 H   0  0  0  0  0
    4.4120   -2.2400   -0.4180 H   0  0  0  0  0
    5.3300   -3.7460   -0.6590 H   0  0  0  0  0
  -12.6180    2.9770    0.5350 H   0  0  0  0  0
    4.4620   -4.6190    1.4940 H   0  0  0  0  0
    3.5440   -3.1130    1.7350 H   0  0  0  0  0
   -6.0710    3.0150   -2.1220 H   0  0  0  0  0
    2.8360   -4.1950   -0.7760 H   0  0  0  0  0
  -13.4610    0.3950    2.1430 H   0  0  0  0  0
    0.4790   -6.5480    0.1590 H   0  0  0  0  0
    1.1290   -4.3960   -1.6790 H   0  0  0  0  0
   -1.9520   -6.0880   -0.4790 H   0  0  0  0  0
   -1.4490   -4.8080   -1.6090 H   0  0  0  0  0
   -0.1430   -4.6490    2.4610 H   0  0  0  0  0
   -1.8620   -4.4490    2.0470 H   0  0  0  0  0
   -1.0950   -6.0490    1.9120 H   0  0  0  0  0
    0.0380   -2.9600   -0.8220 H   0  0  0  0  0
   -1.1120   -2.5920    0.4860 H   0  0  0  0  0
    0.5940   -2.9240    0.8680 H   0  0  0  0  0
  1  2  2  0  0  0
  1  3  1  0  0  0
  3  4  1  0  0  0
  3 61  1  0  0  0
  3 62  1  0  0  0
  4  6  1  0  0  0
  4 63  1  0  0  0
  5  4  1  0  0  0
  5 64  1  0  0  0
  6  7  2  0  0  0
  6 65  1  0  0  0
  7  8  1  0  0  0
  7 66  1  0  0  0
  8  9  1  0  0  0
  8 67  1  0  0  0
  8 68  1  0  0  0
  9 10  1  0  0  0
  9 69  1  0  0  0
  9 70  1  0  0  0
 10 11  1  0  0  0
 10 71  1  0  0  0
 10 72  1  0  0  0
 11 12  1  0  0  0
 11 73  1  0  0  0
 11 74  1  0  0  0
 12 75  1  0  0  0
 12 76  1  0  0  0
 12 77  1  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 78  1  0  0  0
 15 25  1  0  0  0
 15 38  1  0  0  0
 16 33  1  0  0  0
 16 51  1  0  0  0
 16 79  1  0  0  0
 17  1  1  0  0  0
 18 80  1  0  0  0
 19 15  2  0  0  0
 20 31  1  0  0  0
 20 43  1  0  0  0
 20 25  1  0  0  0
 21 16  1  0  0  0
 21 81  1  0  0  0
 22 21  1  0  0  0
 22 82  1  0  0  0
 23 17  1  0  0  0
 23 83  1  0  0  0
 23 84  1  0  0  0
 24 18  2  0  0  0
 26 21  1  0  0  0
 26 27  1  0  0  0
 26 32  1  0  0  0
 26 85  1  0  0  0
 28 52  1  0  0  0
 28 27  1  0  0  0
 28 46  1  0  0  0
 29 23  1  0  0  0
 29 86  1  0  0  0
 29 87  1  0  0  0
 30 24  1  0  0  0
 31 88  1  0  0  0
 32 33  1  0  0  0
 32 89  1  0  0  0
 34 29  1  0  0  0
 34 90  1  0  0  0
 35 30  2  0  0  0
 35 41  1  0  0  0
 36 20  2  0  0  0
 37 32  1  0  0  0
 37 91  1  0  0  0
 37 92  1  0  0  0
 38 37  1  0  0  0
 39 34  1  0  0  0
 40 39  2  0  0  0
 41 13  2  0  0  0
 42 41  1  0  0  0
 42 93  1  0  0  0
 42 94  1  0  0  0
 43 58  1  0  0  0
 44 39  1  0  0  0
 44 95  1  0  0  0
 44 96  1  0  0  0
 45 35  1  0  0  0
 46 97  1  0  0  0
 47 44  1  0  0  0
 47 98  1  0  0  0
 47 99  1  0  0  0
 48 45  2  0  0  0
 48 51  1  0  0  0
 48100  1  0  0  0
 49 28  2  0  0  0
 50 47  1  0  0  0
 50101  1  0  0  0
 51 30  1  0  0  0
 52102  1  0  0  0
 53 55  1  0  0  0
 53 50  1  0  0  0
 54 53  2  0  0  0
 55 57  1  0  0  0
 55 56  1  0  0  0
 55103  1  0  0  0
 56104  1  0  0  0
 57 58  1  0  0  0
 57 60  1  0  0  0
 58105  1  0  0  0
 58106  1  0  0  0
 59 57  1  0  0  0
 59107  1  0  0  0
 59108  1  0  0  0
 59109  1  0  0  0
 60110  1  0  0  0
 60111  1  0  0  0
 60112  1  0  0  0
M  END
$$$$
