A1IWD
  CCTOOLS-1219251125

 90 94  0  0  0  0  0  0  0  0999 V2000
   11.8830   -0.4700    3.0790 C   0  0  0  0  0
   10.5930   -0.3310    2.3120 C   0  0  0  0  0
    9.4330   -0.8980    2.8060 C   0  0  0  0  0
    8.2490   -0.7720    2.1050 C   0  0  0  0  0
    8.2250   -0.0760    0.9040 C   0  0  0  0  0
    5.1090   -0.4630   -0.6010 C   0  0  0  0  0
    3.8210   -1.0180   -1.0330 C   0  0  0  0  0
   -0.6830   -1.0320   -1.6870 C   0  0  0  0  0
   -1.7640   -0.6620   -0.6700 C   0  0  0  0  0
   -5.1390    0.3940   -0.1520 C   0  0  0  0  0
   -4.3810    1.4820    0.6130 C   0  0  0  0  0
   -5.1170    2.7910    0.4840 C   0  0  0  0  0
   -4.8300    3.6440   -0.5650 C   0  0  0  0  0
   -5.5050    4.8450   -0.6830 C   0  0  0  0  0
   -6.4660    5.1920    0.2460 C   0  0  0  0  0
   -6.7540    4.3380    1.2950 C   0  0  0  0  0
   -7.8030    4.7160    2.3090 C   0  0  0  0  0
   -9.1670    4.1990    1.8490 C   0  0  0  0  0
   -6.0830    3.1350    1.4110 C   0  0  0  0  0
   -4.6520   -1.7350    1.1400 C   0  0  0  0  0
   -5.8780   -2.6170    0.8930 C   0  0  0  0  0
   -5.5900   -3.5830   -0.2600 C   0  0  0  0  0
   -6.7960   -4.5020   -0.4630 C   0  0  0  0  0
   -7.3820   -4.3460    1.8840 C   0  0  0  0  0
   -6.1930   -3.4220    2.1570 C   0  0  0  0  0
    4.4940    1.5900   -1.9250 C   0  0  0  0  0
    4.8000    2.9770   -2.4290 C   0  0  0  0  0
    5.4510    0.8940   -1.0690 C   0  0  0  0  0
    6.6840    1.1470   -0.5220 C   0  0  0  0  0
    7.4970    2.4060   -0.6820 C   0  0  0  0  0
    9.3920    0.4930    0.4120 C   0  0  0  0  0
   10.5720    0.3680    1.1200 C   0  0  0  0  0
    1.7410   -0.8230   -2.2550 C   0  0  0  0  0
    0.6600   -0.4530   -1.2380 C   0  0  0  0  0
    7.0260    0.0530    0.1910 N   0  0  0  0  0
    6.1210   -0.8580    0.1330 N   0  0  0  0  0
    3.0270   -0.2690   -1.8250 N   0  0  0  0  0
   -4.4240   -0.8790   -0.0260 N   0  0  0  0  0
   -7.0560   -5.2510    0.7740 N   0  0  0  0  0
    3.3780    1.0100   -2.2510 N   0  0  0  0  0
    3.4770   -2.1320   -0.6830 O   0  0  0  0  0
   -3.8160   -0.6910   -2.3750 O   0  0  0  0  0
   -3.3420   -2.7670   -1.1160 O   0  0  0  0  0
   -3.3570   -1.3490   -1.2020 S   0  0  0  0  0
   11.9830    0.3620    3.7760 H   0  0  0  0  0
   11.8770   -1.4090    3.6330 H   0  0  0  0  0
   12.7220   -0.4650    2.3830 H   0  0  0  0  0
    9.4520   -1.4400    3.7400 H   0  0  0  0  0
    7.3430   -1.2160    2.4910 H   0  0  0  0  0
   -0.6060   -2.1170   -1.7560 H   0  0  0  0  0
   -0.9470   -0.6240   -2.6620 H   0  0  0  0  0
   -1.5000   -1.0710    0.3060 H   0  0  0  0  0
   -1.8420    0.4230   -0.6000 H   0  0  0  0  0
   -6.1410    0.2900    0.2630 H   0  0  0  0  0
   -5.2070    0.6700   -1.2040 H   0  0  0  0  0
   -4.3130    1.2060    1.6650 H   0  0  0  0  0
   -3.3790    1.5860    0.1980 H   0  0  0  0  0
   -4.0780    3.3730   -1.2920 H   0  0  0  0  0
   -5.2800    5.5120   -1.5030 H   0  0  0  0  0
   -6.9930    6.1300    0.1540 H   0  0  0  0  0
   -7.5520    4.2740    3.2730 H   0  0  0  0  0
   -7.8390    5.8010    2.4060 H   0  0  0  0  0
   -9.9250    4.4730    2.5830 H   0  0  0  0  0
   -9.4180    4.6420    0.8860 H   0  0  0  0  0
   -9.1300    3.1140    1.7530 H   0  0  0  0  0
   -6.3100    2.4670    2.2280 H   0  0  0  0  0
   -4.8230   -1.1140    2.0200 H   0  0  0  0  0
   -3.7790   -2.3660    1.3050 H   0  0  0  0  0
   -6.7330   -1.9900    0.6380 H   0  0  0  0  0
   -5.4070   -3.0160   -1.1730 H   0  0  0  0  0
   -4.7110   -4.1820   -0.0210 H   0  0  0  0  0
   -7.6710   -3.9030   -0.7150 H   0  0  0  0  0
   -6.5880   -5.2010   -1.2730 H   0  0  0  0  0
   -7.5990   -4.9310    2.7770 H   0  0  0  0  0
   -8.2540   -3.7480    1.6200 H   0  0  0  0  0
   -5.3240   -4.0190    2.4330 H   0  0  0  0  0
   -6.4410   -2.7400    2.9700 H   0  0  0  0  0
    3.9740    3.3300   -3.0470 H   0  0  0  0  0
    4.9320    3.6510   -1.5820 H   0  0  0  0  0
    5.7140    2.9550   -3.0220 H   0  0  0  0  0
    8.1480    2.3110   -1.5510 H   0  0  0  0  0
    6.8270    3.2550   -0.8210 H   0  0  0  0  0
    8.1020    2.5630    0.2110 H   0  0  0  0  0
    9.3770    1.0350   -0.5220 H   0  0  0  0  0
   11.4790    0.8140    0.7390 H   0  0  0  0  0
    1.8180   -1.9080   -2.3250 H   0  0  0  0  0
    1.4770   -0.4150   -3.2310 H   0  0  0  0  0
    0.5820    0.6320   -1.1680 H   0  0  0  0  0
    0.9240   -0.8620   -0.2620 H   0  0  0  0  0
   -6.2740   -5.8440    1.0080 H   0  0  0  0  0
  1  2  1  0  0  0
  1 45  1  0  0  0
  1 46  1  0  0  0
  1 47  1  0  0  0
  2 32  1  0  0  0
  3  2  2  0  0  0
  3  4  1  0  0  0
  3 48  1  0  0  0
  4  5  2  0  0  0
  4 49  1  0  0  0
  5 31  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  7 37  1  0  0  0
  7 41  2  0  0  0
  8  9  1  0  0  0
  8 50  1  0  0  0
  8 51  1  0  0  0
  9 44  1  0  0  0
  9 52  1  0  0  0
  9 53  1  0  0  0
 10 11  1  0  0  0
 10 54  1  0  0  0
 10 55  1  0  0  0
 11 12  1  0  0  0
 11 56  1  0  0  0
 11 57  1  0  0  0
 12 19  1  0  0  0
 13 12  2  0  0  0
 13 14  1  0  0  0
 13 58  1  0  0  0
 14 15  2  0  0  0
 14 59  1  0  0  0
 15 16  1  0  0  0
 15 60  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 61  1  0  0  0
 17 62  1  0  0  0
 18 63  1  0  0  0
 18 64  1  0  0  0
 18 65  1  0  0  0
 19 16  2  0  0  0
 19 66  1  0  0  0
 20 21  1  0  0  0
 20 67  1  0  0  0
 20 68  1  0  0  0
 21 25  1  0  0  0
 21 69  1  0  0  0
 22 21  1  0  0  0
 22 23  1  0  0  0
 22 70  1  0  0  0
 22 71  1  0  0  0
 23 39  1  0  0  0
 23 72  1  0  0  0
 23 73  1  0  0  0
 24 39  1  0  0  0
 24 74  1  0  0  0
 24 75  1  0  0  0
 25 24  1  0  0  0
 25 76  1  0  0  0
 25 77  1  0  0  0
 26 40  2  0  0  0
 27 26  1  0  0  0
 27 78  1  0  0  0
 27 79  1  0  0  0
 27 80  1  0  0  0
 28 26  1  0  0  0
 28  6  1  0  0  0
 29 35  1  0  0  0
 29 28  2  0  0  0
 30 29  1  0  0  0
 30 81  1  0  0  0
 30 82  1  0  0  0
 30 83  1  0  0  0
 31 84  1  0  0  0
 32 31  2  0  0  0
 32 85  1  0  0  0
 33 86  1  0  0  0
 33 87  1  0  0  0
 34 33  1  0  0  0
 34  8  1  0  0  0
 34 88  1  0  0  0
 34 89  1  0  0  0
 35 36  1  0  0  0
 36  6  2  0  0  0
 37 33  1  0  0  0
 38 10  1  0  0  0
 38 20  1  0  0  0
 39 90  1  0  0  0
 40 37  1  0  0  0
 42 44  2  0  0  0
 43 44  2  0  0  0
 44 38  1  0  0  0
M  END
$$$$
