A1JDC
  CCTOOLS-0522260957

 75 81  0  0  0  0  0  0  0  0999 V2000
    3.1610    2.4500   -0.1660 C   0  0  0  0  0
    6.4520    3.3710    0.1370 C   0  0  0  0  0
    5.1130   -0.8380   -0.0980 C   0  0  0  0  0
    5.5780   -0.7140    1.3300 C   0  0  0  0  0
   -3.9050   -2.6340   -0.0390 C   0  0  0  0  0
    3.7980   -2.9560   -0.1790 C   0  0  0  0  0
    2.3700   -3.3050   -0.1980 C   0  0  0  0  0
    1.6540   -2.0880   -0.1640 C   0  0  0  0  0
    2.3310    0.2990   -0.1590 C   0  0  0  0  0
    1.0230    0.7650   -0.1800 C   0  0  0  0  0
    0.7940    2.1290   -0.1920 C   0  0  0  0  0
   -0.6130    2.6610   -0.2520 C   0  0  0  0  0
   -2.6390    1.4440   -0.0050 C   0  0  0  0  0
    1.8880    2.9850   -0.1810 C   0  0  0  0  0
    4.3530    3.3720   -0.1510 C   0  0  0  0  0
    5.5370    2.8620   -0.9890 C   0  0  0  0  0
    5.2530    3.1950    1.0840 C   0  0  0  0  0
    6.7860   -1.0970    1.6610 C   0  0  0  0  0
   -0.2960   -3.3030   -0.1800 C   0  0  0  0  0
   -2.5410   -2.3340   -0.1110 C   0  0  0  0  0
   -4.8290   -1.6180    0.0500 C   0  0  0  0  0
   -4.4030   -0.3010    0.0630 C   0  0  0  0  0
   -6.1270    0.6190    1.3950 C   0  0  0  0  0
   -7.0870    1.8060    1.4980 C   0  0  0  0  0
   -8.8320    0.6350    0.2940 C   0  0  0  0  0
   -7.1860    1.9350   -0.9170 C   0  0  0  0  0
   -6.2250    0.7480   -1.0200 C   0  0  0  0  0
   -3.0500    0.0080   -0.0170 C   0  0  0  0  0
   -2.1210   -1.0200   -0.1010 C   0  0  0  0  0
    1.6770   -4.5110   -0.2400 C   0  0  0  0  0
    2.5830   -1.0700   -0.1520 N   0  0  0  0  0
    3.3500    1.1450   -0.1590 N   0  0  0  0  0
    3.8710   -1.6130   -0.1420 N   0  0  0  0  0
    0.3220   -2.1450   -0.1530 N   0  0  0  0  0
   -1.6810   -3.4490   -0.1570 N   0  0  0  0  0
   -5.3440    0.7310    0.1560 N   0  0  0  0  0
   -7.9680    1.8230    0.3220 N   0  0  0  0  0
    0.3600   -4.4680   -0.2280 N   0  0  0  0  0
    4.7340   -3.7330   -0.1930 O   0  0  0  0  0
   -1.4900    1.6770   -0.8210 O   0  0  0  0  0
    4.0060    4.7330   -0.4160 O   0  0  0  0  0
    7.2850    2.7030    0.3580 H   0  0  0  0  0
    6.7630    4.4080    0.0140 H   0  0  0  0  0
    4.9360    0.1560   -0.5090 H   0  0  0  0  0
    5.8790   -1.3430   -0.6870 H   0  0  0  0  0
    4.9150   -0.3110    2.0810 H   0  0  0  0  0
   -4.2330   -3.6630   -0.0540 H   0  0  0  0  0
    0.1950    0.0710   -0.1780 H   0  0  0  0  0
   -0.9500    2.9060    0.7550 H   0  0  0  0  0
   -0.6340    3.5590   -0.8680 H   0  0  0  0  0
   -3.4650    2.0520   -0.3740 H   0  0  0  0  0
   -2.4120    1.7390    1.0190 H   0  0  0  0  0
    1.7450    4.0560   -0.1830 H   0  0  0  0  0
    5.6660    3.3950   -1.9310 H   0  0  0  0  0
    5.5530    1.7790   -1.1090 H   0  0  0  0  0
    5.1920    2.2030    1.5300 H   0  0  0  0  0
    5.1540    3.9970    1.8150 H   0  0  0  0  0
    7.1190   -1.0090    2.6850 H   0  0  0  0  0
    7.4500   -1.5000    0.9110 H   0  0  0  0  0
   -5.8820   -1.8480    0.1110 H   0  0  0  0  0
   -5.4530    0.6210    2.2520 H   0  0  0  0  0
   -6.6960   -0.3100    1.3830 H   0  0  0  0  0
   -7.6890    1.7100    2.4020 H   0  0  0  0  0
   -6.5160    2.7340    1.5380 H   0  0  0  0  0
   -9.4480    0.6130    1.1920 H   0  0  0  0  0
   -9.4730    0.6730   -0.5870 H   0  0  0  0  0
   -8.2140   -0.2620    0.2550 H   0  0  0  0  0
   -6.6160    2.8640   -0.9050 H   0  0  0  0  0
   -7.8590    1.9330   -1.7740 H   0  0  0  0  0
   -6.7970   -0.1800   -1.0590 H   0  0  0  0  0
   -5.6240    0.8430   -1.9240 H   0  0  0  0  0
   -1.0670   -0.7920   -0.1580 H   0  0  0  0  0
    2.2030   -5.4530   -0.2820 H   0  0  0  0  0
   -2.0630   -4.3410   -0.1800 H   0  0  0  0  0
    3.4590    4.8530   -1.2040 H   0  0  0  0  0
  1 32  1  0  0  0
  1 15  1  0  0  0
  2 17  1  0  0  0
  2 42  1  0  0  0
  2 43  1  0  0  0
  3  4  1  0  0  0
  3 44  1  0  0  0
  3 45  1  0  0  0
  4 18  2  0  0  0
  4 46  1  0  0  0
  5 20  2  0  0  0
  5 47  1  0  0  0
  6 33  1  0  0  0
  6 39  2  0  0  0
  7  6  1  0  0  0
  8  7  2  0  0  0
  8 31  1  0  0  0
  9 31  1  0  0  0
  9 32  2  0  0  0
 10  9  1  0  0  0
 10 48  1  0  0  0
 11 10  2  0  0  0
 11 14  1  0  0  0
 12 11  1  0  0  0
 12 49  1  0  0  0
 12 50  1  0  0  0
 13 40  1  0  0  0
 13 51  1  0  0  0
 13 52  1  0  0  0
 14  1  2  0  0  0
 14 53  1  0  0  0
 15 17  1  0  0  0
 15 41  1  0  0  0
 16  2  1  0  0  0
 16 15  1  0  0  0
 16 54  1  0  0  0
 16 55  1  0  0  0
 17 56  1  0  0  0
 17 57  1  0  0  0
 18 58  1  0  0  0
 18 59  1  0  0  0
 19 34  2  0  0  0
 19 38  1  0  0  0
 20 29  1  0  0  0
 20 35  1  0  0  0
 21 22  2  0  0  0
 21  5  1  0  0  0
 21 60  1  0  0  0
 22 28  1  0  0  0
 23 36  1  0  0  0
 23 61  1  0  0  0
 23 62  1  0  0  0
 24 23  1  0  0  0
 24 63  1  0  0  0
 24 64  1  0  0  0
 25 37  1  0  0  0
 25 65  1  0  0  0
 25 66  1  0  0  0
 25 67  1  0  0  0
 26 27  1  0  0  0
 26 68  1  0  0  0
 26 69  1  0  0  0
 27 70  1  0  0  0
 27 71  1  0  0  0
 28 13  1  0  0  0
 28 29  2  0  0  0
 29 72  1  0  0  0
 30  7  1  0  0  0
 30 73  1  0  0  0
 31 33  1  0  0  0
 33  3  1  0  0  0
 34  8  1  0  0  0
 35 19  1  0  0  0
 35 74  1  0  0  0
 36 27  1  0  0  0
 36 22  1  0  0  0
 37 24  1  0  0  0
 37 26  1  0  0  0
 38 30  2  0  0  0
 40 12  1  0  0  0
 41 75  1  0  0  0
M  END
$$$$
