A1JO1
  CCTOOLS-0403261050

 74 76  0  0  1  0  0  0  0  0999 V2000
   -6.5030    0.6530    1.0690 C   0  0  0  0  0
    0.1830   -1.6320   -1.2400 C   0  0  0  0  0
   -4.4060    1.3220    0.1750 C   0  0  0  0  0
   -2.3790    2.1010   -0.0600 C   0  0  0  0  0
   -2.0320    4.8130   -0.9180 C   0  0  0  0  0
   -3.3830    1.5520   -0.7810 C   0  0  0  0  0
   -1.0360    2.5460   -0.5790 C   0  0  0  0  0
   -0.8570    4.0420   -0.3120 C   0  0  0  0  0
    0.4490    4.5210   -0.9490 C   0  0  0  0  0
    0.0540    1.7770    0.1210 C   0  0  0  0  0
   -0.1760   -0.1450   -1.4790 C   0  0  0  0  0
    0.4470    0.5790   -0.3560 N   0  0  0  0  0
    4.0200   -0.0040    0.4060 N   0  0  0  0  0
   -7.8260    0.0320    0.6180 C   0  0  0  0  0
   10.5090   -3.6550   -0.0710 N   0  0  0  0  0
   -3.9350    1.7370    1.3210 N   0  0  0  0  0
   -7.5690   -5.4900    0.0420 C   0  0  0  0  0
   -7.9380   -4.1490    0.3670 O   0  0  0  0  0
   -8.4080   -3.3890   -0.7480 C   0  0  0  0  0
    1.6240   -1.5180   -0.6780 C   0  0  0  0  0
    1.5690   -0.2210    0.1560 C   0  0  0  0  0
    2.8580    0.5440    0.0000 C   0  0  0  0  0
    5.2730    0.7400    0.2550 C   0  0  0  0  0
    5.4620    1.6710    1.4540 C   0  0  0  0  0
   -8.7730   -1.9770   -0.2850 C   0  0  0  0  0
    6.4260   -0.2270    0.1830 C   0  0  0  0  0
    7.4640    0.0030   -0.7020 C   0  0  0  0  0
    8.5230   -0.8790   -0.7730 C   0  0  0  0  0
    8.5450   -2.0060    0.0520 C   0  0  0  0  0
    7.4940   -2.2320    0.9430 C   0  0  0  0  0
    6.4440   -1.3390    1.0070 C   0  0  0  0  0
    9.6400   -2.9260   -0.0170 C   0  0  0  0  0
   -7.5950   -1.3030    0.1620 O   0  0  0  0  0
   -5.6300    0.7840   -0.0550 O   0  0  0  0  0
   -2.8120    2.1720    1.2070 O   0  0  0  0  0
    0.5770    2.2350    1.1150 O   0  0  0  0  0
   -0.6960   -2.2240   -0.2810 O   0  0  0  0  0
    2.8490    1.6530   -0.4910 O   0  0  0  0  0
   -6.6920    1.6370    1.4990 H   0  0  0  0  0
   -6.0380    0.0120    1.8180 H   0  0  0  0  0
    0.1710   -2.1920   -2.1750 H   0  0  0  0  0
   -2.9620    4.4720   -0.4640 H   0  0  0  0  0
   -1.9040    5.8790   -0.7270 H   0  0  0  0  0
   -2.0660    4.6380   -1.9930 H   0  0  0  0  0
   -3.4020    1.3370   -1.8400 H   0  0  0  0  0
   -0.9810    2.3600   -1.6520 H   0  0  0  0  0
   -0.8230    4.2180    0.7630 H   0  0  0  0  0
    0.6200    5.5650   -0.6870 H   0  0  0  0  0
    1.2770    3.9150   -0.5800 H   0  0  0  0  0
    0.3820    4.4240   -2.0320 H   0  0  0  0  0
    0.2370    0.1980   -2.4280 H   0  0  0  0  0
   -1.2580   -0.0090   -1.4670 H   0  0  0  0  0
    4.0270   -0.8910    0.7990 H   0  0  0  0  0
   -8.5240    0.0140    1.4550 H   0  0  0  0  0
   -8.2480    0.6250   -0.1940 H   0  0  0  0  0
   -8.4320   -6.0160   -0.3640 H   0  0  0  0  0
   -6.7690   -5.4770   -0.6990 H   0  0  0  0  0
   -7.2230   -6.0000    0.9410 H   0  0  0  0  0
   -7.6260   -3.3320   -1.5050 H   0  0  0  0  0
   -9.2900   -3.8710   -1.1710 H   0  0  0  0  0
    1.8600   -2.3740   -0.0450 H   0  0  0  0  0
    2.3480   -1.4250   -1.4880 H   0  0  0  0  0
    1.4030   -0.4620    1.2060 H   0  0  0  0  0
    5.2360    1.3300   -0.6610 H   0  0  0  0  0
    5.4980    1.0810    2.3700 H   0  0  0  0  0
    6.3940    2.2240    1.3420 H   0  0  0  0  0
    4.6280    2.3710    1.5060 H   0  0  0  0  0
   -9.2150   -1.4250   -1.1150 H   0  0  0  0  0
   -9.4900   -2.0360    0.5340 H   0  0  0  0  0
    7.4450    0.8740   -1.3390 H   0  0  0  0  0
    9.3320   -0.6990   -1.4650 H   0  0  0  0  0
    7.5050   -3.1010    1.5840 H   0  0  0  0  0
    5.6330   -1.5100    1.6990 H   0  0  0  0  0
   -1.6080   -2.3160   -0.5870 H   0  0  0  0  0
  1 34  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2 20  1  0  0  0
  2 41  1  0  0  0
  3 16  2  0  0  0
  3  6  1  0  0  0
  4  7  1  0  0  0
  5  8  1  0  0  0
  5 42  1  0  0  0
  5 43  1  0  0  0
  5 44  1  0  0  0
  6  4  2  0  0  0
  6 45  1  0  0  0
  7 10  1  0  0  0
  7 46  1  0  0  0
  8  7  1  0  0  0
  8 47  1  0  0  0
  9  8  1  0  0  0
  9 48  1  0  0  0
  9 49  1  0  0  0
  9 50  1  0  0  0
 10 12  1  0  0  0
 11  2  1  0  0  0
 11 51  1  0  0  0
 11 52  1  0  0  0
 12 11  1  0  0  0
 12 21  1  0  0  0
 13 23  1  0  0  0
 13 53  1  0  0  0
 14  1  1  0  0  0
 14 54  1  0  0  0
 14 55  1  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 56  1  0  0  0
 17 57  1  0  0  0
 17 58  1  0  0  0
 18 19  1  0  0  0
 19 25  1  0  0  0
 19 59  1  0  0  0
 19 60  1  0  0  0
 20 21  1  0  0  0
 20 61  1  0  0  0
 20 62  1  0  0  0
 21 22  1  0  0  0
 21 63  1  0  0  0
 22 13  1  0  0  0
 23 26  1  0  0  0
 23 64  1  0  0  0
 24 23  1  0  0  0
 24 65  1  0  0  0
 24 66  1  0  0  0
 24 67  1  0  0  0
 25 33  1  0  0  0
 25 68  1  0  0  0
 25 69  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 70  1  0  0  0
 28 29  2  0  0  0
 28 71  1  0  0  0
 29 32  1  0  0  0
 30 29  1  0  0  0
 30 72  1  0  0  0
 31 30  2  0  0  0
 31 73  1  0  0  0
 32 15  3  0  0  0
 33 14  1  0  0  0
 34  3  1  0  0  0
 35  4  1  0  0  0
 36 10  2  0  0  0
 37  2  1  0  0  0
 37 74  1  0  0  0
 38 22  2  0  0  0
M  END
$$$$
