A1JZ0
  CCTOOLS-0605261016

103109  0  0  1  0  0  0  0  0999 V2000
    5.0200    0.0540    3.9500 C   0  0  0  0  0
    6.2940   -0.3770    3.2710 C   0  0  0  0  0
    7.4960    0.2120    3.6190 C   0  0  0  0  0
   -1.0940    1.3990   -3.4570 O   0  0  0  0  0
   -2.5260    3.4760   -3.5300 O   0  0  0  0  0
  -13.0950   -1.0490    2.6980 N   0  0  0  0  0
   11.0440   -2.5060   -0.5400 C   0  0  0  0  0
   10.9710   -2.2930   -2.0530 C   0  0  0  0  0
   12.2640   -2.7950   -2.7520 C   0  0  0  0  0
   12.3300   -1.8960   -4.0050 C   0  0  0  0  0
   11.0120   -0.7850   -2.4080 C   0  0  0  0  0
    7.4270   -1.7640    1.6810 C   0  0  0  0  0
    6.2610   -1.3660    2.3050 C   0  0  0  0  0
    3.5770   -0.1110    1.8790 C   0  0  0  0  0
    2.7590    0.7370    1.2260 C   0  0  0  0  0
    2.0080    3.1000    1.4950 C   0  0  0  0  0
   -5.8340   -1.6700   -1.9700 C   0  0  0  0  0
   -6.4810   -2.1600   -0.6730 C   0  0  0  0  0
   -8.4890   -1.8790    0.4470 C   0  0  0  0  0
   -8.7330   -3.0790   -0.5040 C   0  0  0  0  0
   -9.9230    0.0880   -0.2180 C   0  0  0  0  0
  -12.2280   -2.0190    2.9250 C   0  0  0  0  0
    2.8640    4.0250    0.5940 C   0  0  0  0  0
    3.5650    1.8200    2.9100 C   0  0  0  0  0
    3.8480    2.9220    3.8980 C   0  0  0  0  0
    9.8180   -1.5700    1.3940 N   0  0  0  0  0
    4.3900   -1.1450    4.6610 C   0  0  0  0  0
    8.7690   -1.8770   -0.5370 O   0  0  0  0  0
    0.5230    3.9230   -0.0790 C   0  0  0  0  0
    0.0310    3.5390   -1.4760 C   0  0  0  0  0
   -7.2930   -3.4410   -0.9440 C   0  0  0  0  0
  -11.6460   -0.1640    1.0740 C   0  0  0  0  0
  -12.8530   -0.1080    1.7910 C   0  0  0  0  0
  -10.7570   -1.2160    1.3520 C   0  0  0  0  0
    1.7810    4.8080   -0.1880 C   0  0  0  0  0
    8.6650   -0.1810    2.9990 C   0  0  0  0  0
    8.6340   -1.1690    2.0240 C   0  0  0  0  0
    9.7950   -1.9620    0.1050 C   0  0  0  0  0
   11.1530   -3.8730   -0.2660 F   0  0  0  0  0
   12.1610   -1.8370   -0.0280 F   0  0  0  0  0
    4.0860    0.5740    2.9490 N   0  0  0  0  0
    2.7680    1.9080    1.8800 N   0  3  0  0  0
   -9.6800   -1.0300    0.5230 N   0  0  0  0  0
  -11.0770    0.5950    0.1070 N   0  0  0  0  0
  -13.7680    0.9040    1.5600 N   0  0  0  0  0
  -11.0860   -2.1120    2.2770 N   0  0  0  0  0
   11.5440   -0.7280   -3.7410 O   0  0  0  0  0
   -7.3980   -1.1690   -0.1800 O   0  0  0  0  0
   -9.3420   -4.1670    0.1940 O   0  0  0  0  0
   -6.7900   -4.5270   -0.1630 O   0  0  0  0  0
    1.5480    6.0830    0.4130 O   0  0  0  0  0
    3.6620    4.9100    1.3830 O   0  0  0  0  0
    0.8920    2.7410    0.6520 O   0  0  0  0  0
   -1.1920    2.8070   -1.3650 O   0  0  0  0  0
   -3.2480    1.3630   -2.1410 O   0  0  0  0  0
   -3.3060   -0.7300   -3.5500 O   0  0  0  0  0
   -5.1840    0.9270   -3.8650 O   0  0  0  0  0
   -5.0040   -0.5410   -1.6910 O   0  0  0  0  0
   -1.9950    2.2430   -2.6410 P   0  0  0  0  0
   -4.1670    0.2340   -2.8280 P   0  0  0  0  0
    5.2430    0.8330    4.6790 H   0  0  0  0  0
    7.5190    0.9820    4.3770 H   0  0  0  0  0
   -3.1230    4.0720   -3.0580 H   0  0  0  0  0
   10.0860   -2.7710   -2.4720 H   0  0  0  0  0
   13.1350   -2.6390   -2.1160 H   0  0  0  0  0
   12.1710   -3.8450   -3.0320 H   0  0  0  0  0
   13.3630   -1.6100   -4.2010 H   0  0  0  0  0
   11.9250   -2.4290   -4.8650 H   0  0  0  0  0
   10.0070   -0.3630   -2.3830 H   0  0  0  0  0
   11.6650   -0.2520   -1.7170 H   0  0  0  0  0
    7.4000   -2.5340    0.9240 H   0  0  0  0  0
    5.3220   -1.8280    2.0380 H   0  0  0  0  0
    3.7870   -1.1360    1.6120 H   0  0  0  0  0
    2.1950    0.5130    0.3330 H   0  0  0  0  0
    1.6640    3.6360    2.3800 H   0  0  0  0  0
   -5.2290   -2.4690   -2.3990 H   0  0  0  0  0
   -6.6120   -1.3830   -2.6780 H   0  0  0  0  0
   -5.7120   -2.3570    0.0730 H   0  0  0  0  0
   -8.2030   -2.2270    1.4390 H   0  0  0  0  0
   -9.3380   -2.7800   -1.3600 H   0  0  0  0  0
   -9.2560    0.4940   -0.9640 H   0  0  0  0  0
  -12.4650   -2.7630    3.6710 H   0  0  0  0  0
    3.4870    3.4410   -0.0830 H   0  0  0  0  0
    4.7070    3.5010    3.5590 H   0  0  0  0  0
    2.9780    3.5740    3.9740 H   0  0  0  0  0
    4.0640    2.4880    4.8740 H   0  0  0  0  0
   10.6540   -1.5660    1.8850 H   0  0  0  0  0
    5.0850   -1.5320    5.4060 H   0  0  0  0  0
    3.4680   -0.8330    5.1520 H   0  0  0  0  0
    4.1680   -1.9240    3.9320 H   0  0  0  0  0
   -0.2580    4.4620    0.4560 H   0  0  0  0  0
   -0.1380    4.4410   -2.0630 H   0  0  0  0  0
    0.7810    2.9190   -1.9680 H   0  0  0  0  0
   -7.2700   -3.6900   -2.0050 H   0  0  0  0  0
    2.0760    4.9250   -1.2310 H   0  0  0  0  0
    9.6030    0.2810    3.2710 H   0  0  0  0  0
  -14.5970    0.9330    2.0630 H   0  0  0  0  0
  -13.5800    1.5860    0.8960 H   0  0  0  0  0
   -9.5140   -4.9410   -0.3590 H   0  0  0  0  0
   -7.2650   -5.3590   -0.2950 H   0  0  0  0  0
    2.3080    6.6810    0.3730 H   0  0  0  0  0
    4.2150    5.5090    0.8640 H   0  0  0  0  0
   -5.7800    1.5720   -3.4610 H   0  0  0  0  0
  1 27  1  0  0  0
  1  2  1  0  0  0
  1 61  1  0  0  0
  2  3  1  0  0  0
  3 36  2  0  0  0
  3 62  1  0  0  0
  4 59  2  0  0  0
  5 59  1  0  0  0
  5 63  1  0  0  0
  6 33  2  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  8 11  1  0  0  0
  8  9  1  0  0  0
  8 64  1  0  0  0
  9 10  1  0  0  0
  9 65  1  0  0  0
  9 66  1  0  0  0
 10 67  1  0  0  0
 10 68  1  0  0  0
 11 47  1  0  0  0
 11 69  1  0  0  0
 11 70  1  0  0  0
 12 37  2  0  0  0
 12 71  1  0  0  0
 13  2  2  0  0  0
 13 12  1  0  0  0
 13 72  1  0  0  0
 14 41  1  0  0  0
 14 73  1  0  0  0
 15 14  2  0  0  0
 15 74  1  0  0  0
 16 42  1  0  0  0
 16 75  1  0  0  0
 17 18  1  0  0  0
 17 76  1  0  0  0
 17 77  1  0  0  0
 18 48  1  0  0  0
 18 31  1  0  0  0
 18 78  1  0  0  0
 19 20  1  0  0  0
 19 43  1  0  0  0
 19 79  1  0  0  0
 20 49  1  0  0  0
 20 80  1  0  0  0
 21 44  2  0  0  0
 21 81  1  0  0  0
 22  6  1  0  0  0
 22 82  1  0  0  0
 23 16  1  0  0  0
 23 83  1  0  0  0
 24 25  1  0  0  0
 24 41  1  0  0  0
 25 84  1  0  0  0
 25 85  1  0  0  0
 25 86  1  0  0  0
 26 87  1  0  0  0
 27 88  1  0  0  0
 27 89  1  0  0  0
 27 90  1  0  0  0
 28 38  2  0  0  0
 29 53  1  0  0  0
 29 35  1  0  0  0
 29 91  1  0  0  0
 30 29  1  0  0  0
 30 54  1  0  0  0
 30 92  1  0  0  0
 30 93  1  0  0  0
 31 20  1  0  0  0
 31 94  1  0  0  0
 32 44  1  0  0  0
 32 33  1  0  0  0
 33 45  1  0  0  0
 34 32  2  0  0  0
 35 23  1  0  0  0
 35 95  1  0  0  0
 36 96  1  0  0  0
 37 36  1  0  0  0
 37 26  1  0  0  0
 38 26  1  0  0  0
 38  7  1  0  0  0
 40  7  1  0  0  0
 41  1  1  0  0  0
 42 15  1  0  0  0
 42 24  2  0  0  0
 43 34  1  0  0  0
 43 21  1  0  0  0
 45 97  1  0  0  0
 45 98  1  0  0  0
 46 22  2  0  0  0
 46 34  1  0  0  0
 47 10  1  0  0  0
 48 19  1  0  0  0
 49 99  1  0  0  0
 50 31  1  0  0  0
 50100  1  0  0  0
 51 35  1  0  0  0
 51101  1  0  0  0
 52 23  1  0  0  0
 52102  1  0  0  0
 53 16  1  0  0  0
 54 59  1  0  0  0
 55 60  1  0  0  0
 56 60  2  0  0  0
 57 60  1  0  0  0
 57103  1  0  0  0
 58 17  1  0  0  0
 59 55  1  0  0  0
 60 58  1  0  0  0
M  CHG  1  42   1
M  END
$$$$
