A1J17
  CCTOOLS-0821261018

 59 63  0  0  1  0  0  0  0  0999 V2000
    6.0400    0.0820    0.8080 C   0  0  0  0  0
    6.6830   -2.1930    1.1870 C   0  0  0  0  0
    7.5800   -0.9920   -0.6890 C   0  0  0  0  0
    6.8520    0.1270   -0.3170 C   0  0  0  0  0
    1.9750    0.2920   -0.3660 C   0  0  0  0  0
   -1.0720   -0.2220   -1.2800 C   0  0  0  0  0
   -2.5280   -0.7300   -1.1820 C   0  0  0  0  0
   -7.9010   -0.3850    0.3150 C   0  0  0  0  0
   -6.6290    0.1940    0.1690 C   0  0  0  0  0
   -5.5030   -0.6310    0.3280 C   0  0  0  0  0
   -3.0070   -0.2320    0.2000 C   0  0  0  0  0
   -0.8430    0.5220    0.0540 C   0  0  0  0  0
    0.0090    1.7450   -0.1680 C   0  0  0  0  0
    2.2040    2.8050   -0.4390 C   0  0  0  0  0
    3.3560    2.6740    0.5760 C   0  0  0  0  0
    5.2430    1.2960    1.2110 C   0  0  0  0  0
    5.9570   -1.0770    1.5560 C   0  0  0  0  0
    7.4950   -2.1540    0.0630 C   0  0  0  0  0
    3.1280    0.2610    0.6430 C   0  0  0  0  0
   -4.8740    1.4330   -0.1270 C   0  0  0  0  0
   -6.8910   -2.4170    0.7360 C   0  0  0  0  0
   -9.0470    0.3760    0.1640 N   0  0  0  0  0
   -4.4120    0.1780    0.1350 N   0  0  0  0  0
    1.3430    1.6190   -0.3180 N   0  0  0  0  0
    4.0350    1.3860    0.3800 N   0  0  0  0  0
   -6.1760    1.4400   -0.1070 N   0  0  0  0  0
   -5.6790   -1.9180    0.6080 N   0  0  0  0  0
   -7.9780   -1.6820    0.5950 N   0  0  0  0  0
   -2.1640    0.9040    0.4950 O   0  0  0  0  0
    8.2080   -3.2530   -0.3000 O   0  0  0  0  0
    6.9320    1.2670   -1.0520 O   0  0  0  0  0
   -0.5040    2.8430   -0.2100 O   0  0  0  0  0
   -0.1660   -1.3210   -1.4020 O   0  0  0  0  0
   -2.5650   -2.1570   -1.2400 O   0  0  0  0  0
    6.6170   -3.0980    1.7730 H   0  0  0  0  0
    8.2120   -0.9590   -1.5640 H   0  0  0  0  0
    2.3600    0.1050   -1.3680 H   0  0  0  0  0
    1.2420   -0.4720   -0.1070 H   0  0  0  0  0
   -0.9610    0.4590   -2.1240 H   0  0  0  0  0
   -3.1370   -0.3000   -1.9770 H   0  0  0  0  0
   -2.8710   -1.0100    0.9510 H   0  0  0  0  0
   -0.3740   -0.1390    0.7820 H   0  0  0  0  0
    1.6270    3.7040   -0.2250 H   0  0  0  0  0
    2.6110    2.8630   -1.4490 H   0  0  0  0  0
    4.0680    3.4860    0.4250 H   0  0  0  0  0
    2.9560    2.7240    1.5880 H   0  0  0  0  0
    4.9580    1.2120    2.2590 H   0  0  0  0  0
    5.8480    2.1910    1.0690 H   0  0  0  0  0
    5.3250   -1.1100    2.4310 H   0  0  0  0  0
    2.7290    0.3440    1.6540 H   0  0  0  0  0
    3.6730   -0.6780    0.5430 H   0  0  0  0  0
   -4.2530    2.2940   -0.3230 H   0  0  0  0  0
   -6.9990   -3.4670    0.9640 H   0  0  0  0  0
   -8.9780    1.3210   -0.0440 H   0  0  0  0  0
   -9.9200   -0.0350    0.2670 H   0  0  0  0  0
    7.7380   -3.8440   -0.9030 H   0  0  0  0  0
    7.6310    1.8710   -0.7660 H   0  0  0  0  0
   -0.3050   -1.8590   -2.1940 H   0  0  0  0  0
   -2.2190   -2.5270   -2.0640 H   0  0  0  0  0
  1 17  2  0  0  0
  1  4  1  0  0  0
  2 18  2  0  0  0
  2 35  1  0  0  0
  3  4  2  0  0  0
  3 36  1  0  0  0
  4 31  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6 33  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  7 34  1  0  0  0
  7 40  1  0  0  0
  8  9  2  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
 10 23  1  0  0  0
 10 27  2  0  0  0
 11 29  1  0  0  0
 11  7  1  0  0  0
 11 41  1  0  0  0
 12 13  1  0  0  0
 12  6  1  0  0  0
 12 42  1  0  0  0
 13 24  1  0  0  0
 13 32  2  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 14 44  1  0  0  0
 15 25  1  0  0  0
 15 45  1  0  0  0
 15 46  1  0  0  0
 16  1  1  0  0  0
 16 47  1  0  0  0
 16 48  1  0  0  0
 17  2  1  0  0  0
 17 49  1  0  0  0
 18 30  1  0  0  0
 18  3  1  0  0  0
 19  5  1  0  0  0
 19 50  1  0  0  0
 19 51  1  0  0  0
 20 26  2  0  0  0
 20 52  1  0  0  0
 21 28  2  0  0  0
 21 53  1  0  0  0
 22  8  1  0  0  0
 22 54  1  0  0  0
 22 55  1  0  0  0
 23 11  1  0  0  0
 23 20  1  0  0  0
 24 14  1  0  0  0
 24  5  1  0  0  0
 25 16  1  0  0  0
 25 19  1  0  0  0
 27 21  1  0  0  0
 29 12  1  0  0  0
 30 56  1  0  0  0
 31 57  1  0  0  0
 33 58  1  0  0  0
 34 59  1  0  0  0
M  END
$$$$
