A1DNI
  CCTOOLS-0731261037

 52 55  0  0  1  0  0  0  0  0999 V2000
    6.0160    1.6340    0.3000 N   0  0  0  0  0
    7.5970   -0.4600    2.5160 N   0  0  0  0  0
    5.0820    2.1370   -0.4780 C   0  0  0  0  0
    6.7910   -0.0250    1.8440 C   0  0  0  0  0
    1.5730    1.4750   -1.4060 C   0  0  0  0  0
    1.1860    0.3060   -0.7390 C   0  0  0  0  0
   -0.1370    0.0920   -1.0050 C   0  0  0  0  0
   -0.9600   -1.0300   -0.5040 C   0  0  0  0  0
   -2.4200   -3.1520    0.4050 C   0  0  0  0  0
    1.2140   -3.9440   -1.0140 C   0  0  0  0  0
   -4.2000    2.0660    1.2100 C   0  0  0  0  0
   -5.1750    0.4180   -0.3010 C   0  0  0  0  0
    5.7750    0.5230    0.9960 C   0  0  0  0  0
    4.5340   -0.1060    0.8990 C   0  0  0  0  0
    3.5980    0.4000    0.1180 N   0  0  0  0  0
    3.8380    1.5070   -0.5750 C   0  0  0  0  0
    2.8550    2.0390   -1.3950 N   0  0  0  0  0
   -0.5590    1.1020   -1.8160 N   0  0  0  0  0
    0.5310    1.9500   -2.0490 N   0  0  0  0  0
   -0.4690   -2.3400   -0.5280 C   0  0  0  0  0
   -2.2440   -0.7990    0.0110 C   0  0  0  0  0
   -2.9760   -1.8910    0.4700 C   0  0  0  0  0
   -1.2070   -3.3420   -0.0800 N   0  0  0  0  0
   -3.2120   -4.3350    0.9010 C   0  0  0  0  0
    0.7720   -2.5850   -1.0170 O   0  0  0  0  0
   -2.7600    0.4550    0.0600 O   0  0  0  0  0
   -4.0240    0.6110    0.7080 C   0  0  0  0  0
   -5.7390    2.2130    1.2990 C   0  0  0  0  0
   -6.2650    1.4360    0.0750 C   0  0  0  0  0
   -6.1260    3.6280    1.2160 N   0  0  0  0  0
    5.2770    3.0370   -1.0430 H   0  0  0  0  0
    1.8210   -0.3150   -0.1240 H   0  0  0  0  0
    2.2200   -4.0000   -1.4300 H   0  0  0  0  0
    1.2220   -4.3220    0.0080 H   0  0  0  0  0
    0.5370   -4.5470   -1.6190 H   0  0  0  0  0
   -3.7420    2.1940    2.1900 H   0  0  0  0  0
   -3.7820    2.7750    0.4940 H   0  0  0  0  0
   -4.8200    0.6080   -1.3140 H   0  0  0  0  0
   -5.5690   -0.5960   -0.2290 H   0  0  0  0  0
    4.3380   -1.0060    1.4630 H   0  0  0  0  0
    3.0540    2.8010   -1.9600 H   0  0  0  0  0
   -1.4550    1.2140   -2.1700 H   0  0  0  0  0
   -3.9680   -1.7520    0.8720 H   0  0  0  0  0
   -3.0070   -4.4900    1.9610 H   0  0  0  0  0
   -4.2760   -4.1450    0.7610 H   0  0  0  0  0
   -2.9240   -5.2250    0.3410 H   0  0  0  0  0
   -4.1200   -0.0920    1.5350 H   0  0  0  0  0
   -6.1120    1.7690    2.2220 H   0  0  0  0  0
   -6.4390    2.1210   -0.7550 H   0  0  0  0  0
   -7.1890    0.9170    0.3310 H   0  0  0  0  0
   -7.1300    3.7290    1.2120 H   0  0  0  0  0
   -5.7120    4.1610    1.9660 H   0  0  0  0  0
  1  3  2  0  0  0
  2  4  3  0  0  0
  3 16  1  0  0  0
  3 31  1  0  0  0
  4 13  1  0  0  0
  5 19  2  0  0  0
  6  5  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  7 18  1  0  0  0
  8  7  1  0  0  0
  8 20  2  0  0  0
  9 23  2  0  0  0
 10 33  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 11 27  1  0  0  0
 11 36  1  0  0  0
 11 37  1  0  0  0
 12 27  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 13  1  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17  5  1  0  0  0
 17 41  1  0  0  0
 18 42  1  0  0  0
 19 18  1  0  0  0
 20 25  1  0  0  0
 21  8  1  0  0  0
 22 21  2  0  0  0
 22  9  1  0  0  0
 22 43  1  0  0  0
 23 20  1  0  0  0
 24  9  1  0  0  0
 24 44  1  0  0  0
 24 45  1  0  0  0
 24 46  1  0  0  0
 25 10  1  0  0  0
 26 21  1  0  0  0
 27 26  1  0  0  0
 27 47  1  0  0  0
 28 29  1  0  0  0
 28 11  1  0  0  0
 28 48  1  0  0  0
 29 12  1  0  0  0
 29 49  1  0  0  0
 29 50  1  0  0  0
 30 28  1  0  0  0
 30 51  1  0  0  0
 30 52  1  0  0  0
M  END
$$$$
