A1JLI
  CCTOOLS-0626261020

 57 61  0  0  0  0  0  0  0  0999 V2000
   -3.5260   -2.9330   -1.0320 O   0  0  0  0  0
   -3.3700   -1.8150   -0.5820 C   0  0  0  0  0
   -2.1730   -1.4510   -0.0810 N   0  0  0  0  0
   -1.0590   -2.4030   -0.0790 C   0  0  0  0  0
    0.1560   -1.7530    0.5300 C   0  0  0  0  0
    0.3730   -1.8490    1.8970 C   0  0  0  0  0
    1.4700   -1.2660    2.4680 C   0  0  0  0  0
    2.3790   -0.5700    1.6710 C   0  0  0  0  0
    3.6230    0.1550    1.9400 C   0  0  0  0  0
    4.0650    0.6270    0.7630 C   0  0  0  0  0
    5.3220    1.4360    0.5730 C   0  0  0  0  0
    6.4270    0.5430    0.1970 N   0  0  0  0  0
    7.6710    1.2990    0.0020 C   0  0  0  0  0
    8.7960    0.3380   -0.3880 C   0  0  0  0  0
   10.1730    1.0130   -0.4970 C   0  0  0  0  0
   10.4180    0.1360   -1.7360 C   0  0  0  0  0
    8.8900    0.0800   -1.9010 C   0  0  0  0  0
    3.2060    0.2640   -0.2380 N   0  0  0  0  0
    2.1630   -0.4690    0.2840 C   0  0  0  0  0
    1.0430   -1.0740   -0.2770 C   0  0  0  0  0
   -4.4920   -0.8530   -0.5890 C   0  0  0  0  0
   -5.8310   -1.2600   -1.1560 C   0  0  0  0  0
   -6.8940   -0.4210   -0.4780 C   0  0  0  0  0
   -7.9570   -0.8990   -0.1430 O   0  0  0  0  0
   -6.6060    0.8980   -0.2590 N   0  3  0  0  0
   -7.5910    1.7870   -0.2240 C   0  0  0  0  0
   -7.3330    3.1260   -0.0120 C   0  0  0  0  0
   -6.0210    3.5480    0.1660 C   0  0  0  0  0
   -5.0060    2.6060    0.1290 C   0  0  0  0  0
   -5.3240    1.2630   -0.0850 C   0  0  0  0  0
   -4.3270    0.3380   -0.1030 N   0  0  0  0  0
   -2.0490   -0.5590    0.2790 H   0  0  0  0  0
   -1.3330   -3.2810    0.5050 H   0  0  0  0  0
   -0.8360   -2.7030   -1.1030 H   0  0  0  0  0
   -0.3300   -2.3880    2.5150 H   0  0  0  0  0
    1.6330   -1.3450    3.5330 H   0  0  0  0  0
    4.0960    0.2850    2.9020 H   0  0  0  0  0
    5.1650    2.1710   -0.2160 H   0  0  0  0  0
    5.5690    1.9480    1.5030 H   0  0  0  0  0
    6.5500   -0.1870    0.8820 H   0  0  0  0  0
    7.5300    2.0330   -0.7910 H   0  0  0  0  0
    7.9350    1.8100    0.9280 H   0  0  0  0  0
    8.8020   -0.5720    0.2130 H   0  0  0  0  0
   10.1210    2.0790   -0.7200 H   0  0  0  0  0
   10.8380    0.7870    0.3380 H   0  0  0  0  0
   10.9260    0.6580   -2.5470 H   0  0  0  0  0
   10.8690   -0.8290   -1.5060 H   0  0  0  0  0
    8.5180   -0.9000   -2.2010 H   0  0  0  0  0
    8.4860    0.8910   -2.5070 H   0  0  0  0  0
    3.3140    0.4890   -1.1750 H   0  0  0  0  0
    0.8650   -1.0060   -1.3400 H   0  0  0  0  0
   -5.8480   -1.0790   -2.2310 H   0  0  0  0  0
   -6.0110   -2.3170   -0.9570 H   0  0  0  0  0
   -8.6100    1.4570   -0.3630 H   0  0  0  0  0
   -8.1430    3.8400    0.0150 H   0  0  0  0  0
   -5.7970    4.5910    0.3310 H   0  0  0  0  0
   -3.9780    2.9080    0.2640 H   0  0  0  0  0
  2  1  2  0  0  0
  3  4  1  0  0  0
  3  2  1  0  0  0
  3 32  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  4  1  0  0  0
  6  5  2  0  0  0
  6 35  1  0  0  0
  7  6  1  0  0  0
  7 36  1  0  0  0
  8  7  2  0  0  0
  8 19  1  0  0  0
  9 10  2  0  0  0
  9  8  1  0  0  0
  9 37  1  0  0  0
 10 18  1  0  0  0
 11 12  1  0  0  0
 11 10  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 40  1  0  0  0
 13 12  1  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 15 44  1  0  0  0
 15 45  1  0  0  0
 16 15  1  0  0  0
 16 46  1  0  0  0
 16 47  1  0  0  0
 17 14  1  0  0  0
 17 16  1  0  0  0
 17 48  1  0  0  0
 17 49  1  0  0  0
 18 19  1  0  0  0
 18 50  1  0  0  0
 19 20  2  0  0  0
 20  5  1  0  0  0
 20 51  1  0  0  0
 21 22  1  0  0  0
 21  2  1  0  0  0
 22 52  1  0  0  0
 22 53  1  0  0  0
 23 24  2  0  0  0
 23 22  1  0  0  0
 25 23  1  0  0  0
 26 25  2  0  0  0
 26 54  1  0  0  0
 27 26  1  0  0  0
 27 55  1  0  0  0
 28 27  2  0  0  0
 28 29  1  0  0  0
 28 56  1  0  0  0
 29 30  2  0  0  0
 29 57  1  0  0  0
 30 25  1  0  0  0
 30 31  1  0  0  0
 31 21  2  0  0  0
M  CHG  1  25   1
M  END
$$$$
