A1JJ4
  CCTOOLS-0731261038

123127  0  0  1  0  0  0  0  0999 V2000
   13.7810    3.1050    1.3200 C   0  0  0  0  0
   18.6540   -4.4000   -0.1590 C   0  0  0  0  0
   15.0300    2.5390    1.1530 C   0  0  0  0  0
   15.1850    1.1670    1.2280 C   0  0  0  0  0
   17.7690   -3.7330    2.3740 C   0  0  0  0  0
   14.0860    0.3540    1.4710 C   0  0  0  0  0
   15.5630   -1.5060    1.3610 C   0  0  0  0  0
   15.5390   -3.0310    1.4770 C   0  0  0  0  0
   16.9330   -3.5710    1.2840 C   0  0  0  0  0
   19.0470   -4.2280    2.1970 C   0  0  0  0  0
   19.4900   -4.5610    0.9300 C   0  0  0  0  0
    3.9020    3.8660   -0.8660 N   0  0  0  0  0
   -0.8980    4.6560   -1.5110 N   0  0  0  0  0
   12.6770    2.2960    1.5640 C   0  0  0  0  0
  -10.3000   -4.2820   -0.5830 N   0  0  0  0  0
   11.1130    3.8120   -0.8330 C   0  0  0  0  0
   10.3510    2.9000    0.1300 C   0  0  0  0  0
   11.0850    3.0190    1.7850 S   0  0  0  0  0
   14.2410   -0.9940    1.5440 O   0  0  0  0  0
   19.1340   -4.7700   -1.5390 C   0  0  0  0  0
   19.7340   -3.6570   -2.1380 F   0  0  0  0  0
   20.0670   -5.8090   -1.4450 F   0  0  0  0  0
   18.0470   -5.1880   -2.3140 F   0  0  0  0  0
   17.3750   -3.9050    0.0180 C   0  0  0  0  0
   12.8320    0.9180    1.6400 C   0  0  0  0  0
    8.9070    3.3280    0.1900 C   0  0  0  0  0
    8.5330    4.0800    1.0650 O   0  0  0  0  0
    7.7950    2.7510   -0.9770 S   0  0  0  0  0
    6.2870    3.5750   -0.4080 C   0  0  0  0  0
    5.1220    3.1980   -1.3260 C   0  0  0  0  0
    2.7420    3.6800   -1.5270 C   0  0  0  0  0
    2.7090    2.9600   -2.5020 O   0  0  0  0  0
    1.4870    4.3660   -1.0530 C   0  0  0  0  0
    0.3220    3.9890   -1.9710 C   0  0  0  0  0
   -2.0580    4.4700   -2.1710 C   0  0  0  0  0
   -2.0740    3.8280   -3.2000 O   0  0  0  0  0
   -3.3350    5.0610   -1.6320 C   0  0  0  0  0
   -3.0380    5.8990   -0.5140 O   0  0  0  0  0
   -4.2710    3.9340   -1.1900 C   0  0  0  0  0
   -4.6420    3.0740   -2.4000 C   0  0  0  0  0
   -3.5670    3.0660   -0.1450 C   0  0  0  0  0
   -5.5410    4.5340   -0.5830 C   0  0  0  0  0
   -6.4150    3.4820   -0.1700 O   0  0  0  0  0
   -7.8470    3.7490    0.5140 P   0  0  0  0  0
   -8.6570    4.6240   -0.3630 O   0  0  0  0  0
   -7.6360    4.4670    1.9400 O   0  0  0  0  0
   -8.6110    2.3480    0.7270 O   0  0  0  0  0
  -10.1500    1.9360    0.9550 P   0  0  0  0  0
  -11.0060    2.6800    0.0040 O   0  0  0  0  0
  -10.5840    2.2980    2.4630 O   0  0  0  0  0
  -10.3250    0.3550    0.7110 O   0  0  0  0  0
  -11.5940   -0.3010    0.7360 C   0  0  0  0  0
  -11.4020   -1.7950    0.4680 C   0  0  0  0  0
  -10.9670   -2.0100   -0.8930 O   0  0  0  0  0
  -11.2920   -3.3870   -1.1840 C   0  0  0  0  0
   -9.4420   -3.9720    0.4300 C   0  0  0  0  0
   -8.7000   -5.0030    0.7150 N   0  0  0  0  0
   -9.0350   -6.0370   -0.0940 C   0  0  0  0  0
   -8.5910   -7.3630   -0.2390 C   0  0  0  0  0
   -7.5750   -7.8600    0.5590 N   0  0  0  0  0
   -9.1690   -8.1270   -1.1590 N   0  0  0  0  0
  -10.1390   -7.6610   -1.9240 C   0  0  0  0  0
  -10.5870   -6.4270   -1.8250 N   0  0  0  0  0
  -10.0690   -5.5890   -0.9330 C   0  0  0  0  0
  -12.6780   -3.6100   -0.5390 C   0  0  0  0  0
  -13.7160   -3.4060   -1.5000 O   0  0  0  0  0
  -12.7520   -2.5390    0.5750 C   0  0  0  0  0
  -13.8370   -1.6410    0.3350 O   0  0  0  0  0
  -15.0380   -1.4170    1.3840 P   0  0  0  0  0
  -14.4590   -0.7490    2.7290 O   0  0  0  0  0
  -16.1430   -0.4440    0.7340 O   0  0  0  0  0
  -15.6590   -2.7210    1.7080 O   0  0  0  0  0
   13.6630    4.1770    1.2650 H   0  0  0  0  0
   15.8860    3.1680    0.9620 H   0  0  0  0  0
   16.1630    0.7280    1.0960 H   0  0  0  0  0
   17.4230   -3.4710    3.3630 H   0  0  0  0  0
   16.2210   -1.0940    2.1250 H   0  0  0  0  0
   15.9290   -1.2220    0.3750 H   0  0  0  0  0
   15.1730   -3.3150    2.4640 H   0  0  0  0  0
   14.8800   -3.4440    0.7130 H   0  0  0  0  0
   19.7000   -4.3540    3.0470 H   0  0  0  0  0
   20.4880   -4.9480    0.7910 H   0  0  0  0  0
    3.9290    4.4410   -0.0860 H   0  0  0  0  0
   -0.8710    5.2320   -0.7310 H   0  0  0  0  0
   12.1710    3.5510   -0.8200 H   0  0  0  0  0
   10.7200    3.6850   -1.8420 H   0  0  0  0  0
   10.9910    4.8500   -0.5240 H   0  0  0  0  0
   10.4110    1.8700   -0.2210 H   0  0  0  0  0
   16.7220   -3.7790   -0.8330 H   0  0  0  0  0
   11.9760    0.2870    1.8290 H   0  0  0  0  0
    6.0630    3.2600    0.6110 H   0  0  0  0  0
    6.4330    4.6550   -0.4310 H   0  0  0  0  0
    4.9770    2.1180   -1.3030 H   0  0  0  0  0
    5.3460    3.5130   -2.3450 H   0  0  0  0  0
    1.2630    4.0510   -0.0340 H   0  0  0  0  0
    1.6330    5.4460   -1.0760 H   0  0  0  0  0
    0.1770    2.9090   -1.9480 H   0  0  0  0  0
    0.5460    4.3040   -2.9900 H   0  0  0  0  0
   -3.8190    5.6510   -2.4100 H   0  0  0  0  0
   -2.6050    5.4390    0.2180 H   0  0  0  0  0
   -3.7620    2.5290   -2.7420 H   0  0  0  0  0
   -5.4210    2.3660   -2.1180 H   0  0  0  0  0
   -5.0070    3.7150   -3.2030 H   0  0  0  0  0
   -3.3030    3.6790    0.7170 H   0  0  0  0  0
   -4.2330    2.2640    0.1700 H   0  0  0  0  0
   -2.6620    2.6390   -0.5780 H   0  0  0  0  0
   -5.2770    5.1470    0.2790 H   0  0  0  0  0
   -6.0430    5.1520   -1.3270 H   0  0  0  0  0
   -7.1130    3.9490    2.5670 H   0  0  0  0  0
  -10.0640    1.8450    3.1410 H   0  0  0  0  0
  -12.0550   -0.1640    1.7140 H   0  0  0  0  0
  -12.2390    0.1260   -0.0320 H   0  0  0  0  0
  -10.6800   -2.2160    1.1680 H   0  0  0  0  0
  -11.3420   -3.5450   -2.2610 H   0  0  0  0  0
   -9.3850   -3.0130    0.9220 H   0  0  0  0  0
   -7.1610   -7.2920    1.2270 H   0  0  0  0  0
   -7.2780   -8.7770    0.4500 H   0  0  0  0  0
  -10.5820   -8.3160   -2.6600 H   0  0  0  0  0
  -12.7430   -4.6100   -0.1110 H   0  0  0  0  0
  -13.6800   -4.0140   -2.2520 H   0  0  0  0  0
  -12.8540   -3.0110    1.5520 H   0  0  0  0  0
  -14.0370    0.1100    2.5910 H   0  0  0  0  0
  -16.8980   -0.2640    1.3110 H   0  0  0  0  0
  1 14  2  0  0  0
  1 73  1  0  0  0
  2 24  1  0  0  0
  3  4  2  0  0  0
  3  1  1  0  0  0
  3 74  1  0  0  0
  4  6  1  0  0  0
  4 75  1  0  0  0
  5  9  1  0  0  0
  5 76  1  0  0  0
  6 19  1  0  0  0
  6 25  2  0  0  0
  7 19  1  0  0  0
  7 77  1  0  0  0
  7 78  1  0  0  0
  8  7  1  0  0  0
  8 79  1  0  0  0
  8 80  1  0  0  0
  9  8  1  0  0  0
 10  5  2  0  0  0
 10 81  1  0  0  0
 11  2  2  0  0  0
 11 10  1  0  0  0
 11 82  1  0  0  0
 12 30  1  0  0  0
 12 83  1  0  0  0
 13 35  1  0  0  0
 13 34  1  0  0  0
 13 84  1  0  0  0
 14 25  1  0  0  0
 14 18  1  0  0  0
 15 55  1  0  0  0
 15 56  1  0  0  0
 16 85  1  0  0  0
 16 86  1  0  0  0
 16 87  1  0  0  0
 17 16  1  0  0  0
 17 88  1  0  0  0
 18 17  1  0  0  0
 20  2  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 22 20  1  0  0  0
 24  9  2  0  0  0
 24 89  1  0  0  0
 25 90  1  0  0  0
 26 17  1  0  0  0
 26 27  2  0  0  0
 28 26  1  0  0  0
 29 28  1  0  0  0
 29 91  1  0  0  0
 29 92  1  0  0  0
 30 29  1  0  0  0
 30 93  1  0  0  0
 30 94  1  0  0  0
 31 12  1  0  0  0
 32 31  2  0  0  0
 33 31  1  0  0  0
 33 95  1  0  0  0
 33 96  1  0  0  0
 34 33  1  0  0  0
 34 97  1  0  0  0
 34 98  1  0  0  0
 35 36  2  0  0  0
 37 39  1  0  0  0
 37 35  1  0  0  0
 37 99  1  0  0  0
 38 37  1  0  0  0
 38100  1  0  0  0
 39 40  1  0  0  0
 39 41  1  0  0  0
 40101  1  0  0  0
 40102  1  0  0  0
 40103  1  0  0  0
 41104  1  0  0  0
 41105  1  0  0  0
 41106  1  0  0  0
 42 39  1  0  0  0
 42107  1  0  0  0
 42108  1  0  0  0
 43 42  1  0  0  0
 44 46  1  0  0  0
 44 43  1  0  0  0
 45 44  2  0  0  0
 46109  1  0  0  0
 47 44  1  0  0  0
 48 47  1  0  0  0
 48 49  2  0  0  0
 48 50  1  0  0  0
 50110  1  0  0  0
 51 48  1  0  0  0
 52 51  1  0  0  0
 52111  1  0  0  0
 52112  1  0  0  0
 53 52  1  0  0  0
 53113  1  0  0  0
 54 53  1  0  0  0
 55 54  1  0  0  0
 55114  1  0  0  0
 56115  1  0  0  0
 57 56  2  0  0  0
 58 64  2  0  0  0
 58 57  1  0  0  0
 59 58  1  0  0  0
 60 59  1  0  0  0
 60116  1  0  0  0
 60117  1  0  0  0
 61 62  1  0  0  0
 61 59  2  0  0  0
 62 63  2  0  0  0
 62118  1  0  0  0
 63 64  1  0  0  0
 64 15  1  0  0  0
 65 55  1  0  0  0
 65 67  1  0  0  0
 65119  1  0  0  0
 66 65  1  0  0  0
 66120  1  0  0  0
 67 53  1  0  0  0
 67121  1  0  0  0
 68 67  1  0  0  0
 69 68  1  0  0  0
 69 71  1  0  0  0
 70 69  1  0  0  0
 70122  1  0  0  0
 71123  1  0  0  0
 72 69  2  0  0  0
M  END
$$$$
