A1CRG
  CCTOOLS-0828261229

 40 41  0  0  1  0  0  0  0  0999 V2000
    2.3280    2.1970   -0.2520 O   0  0  0  0  0
    3.4870    1.8830   -0.4340 C   0  0  0  0  0
    4.2970    2.6820   -1.1550 O   0  0  0  0  0
    4.0100    0.6260    0.1410 C   0  0  0  0  0
    5.3420    0.2620   -0.0650 C   0  0  0  0  0
    5.8240   -0.9130    0.4740 C   0  0  0  0  0
    4.9910   -1.7290    1.2180 C   0  0  0  0  0
    3.6700   -1.3740    1.4270 C   0  0  0  0  0
    3.1770   -0.1990    0.8990 C   0  0  0  0  0
    1.7400    0.1890    1.1320 C   0  0  0  0  0
    0.9410   -0.1530   -0.0520 N   0  0  0  0  0
    0.8050   -1.6260   -0.1950 C   0  0  0  0  0
   -0.4390   -1.8170   -1.0890 C   0  0  0  0  0
   -0.0500   -1.9610   -2.4560 O   0  0  0  0  0
   -1.2690   -0.5300   -0.9010 C   0  0  0  0  0
   -2.6420   -0.8650   -0.3140 C   0  0  0  0  0
   -3.4370    0.3210   -0.2570 O   0  0  0  0  0
   -4.9440    0.3400    0.3090 P   0  0  0  0  0
   -5.7580   -0.6550   -0.4240 O   0  0  0  0  0
   -4.9340   -0.0250    1.8770 O   0  0  0  0  0
   -5.5760    1.8060    0.1040 O   0  0  0  0  0
   -0.4570    0.3300    0.0910 C   0  0  0  0  0
    3.9110    3.4950   -1.5070 H   0  0  0  0  0
    5.9940    0.8980   -0.6470 H   0  0  0  0  0
    6.8540   -1.1960    0.3150 H   0  0  0  0  0
    5.3730   -2.6480    1.6380 H   0  0  0  0  0
    3.0250   -2.0150    2.0090 H   0  0  0  0  0
    1.3540   -0.3480    1.9990 H   0  0  0  0  0
    1.6780    1.2620    1.3140 H   0  0  0  0  0
    1.6880   -2.0440   -0.6780 H   0  0  0  0  0
    0.6480   -2.0890    0.7790 H   0  0  0  0  0
   -1.0080   -2.6880   -0.7640 H   0  0  0  0  0
    0.5120   -2.7300   -2.6260 H   0  0  0  0  0
   -1.3810   -0.0100   -1.8520 H   0  0  0  0  0
   -3.1360   -1.6030   -0.9450 H   0  0  0  0  0
   -2.5190   -1.2690    0.6900 H   0  0  0  0  0
   -4.4180    0.5860    2.4200 H   0  0  0  0  0
   -6.4850    1.8910    0.4230 H   0  0  0  0  0
   -0.8120    0.1720    1.1090 H   0  0  0  0  0
   -0.5240    1.3840   -0.1770 H   0  0  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  3 23  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6  7  2  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  8  9  2  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
 11 12  1  0  0  0
 11 22  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 13 32  1  0  0  0
 14 33  1  0  0  0
 15 16  1  0  0  0
 15 22  1  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 16 36  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
 18 21  1  0  0  0
 20 37  1  0  0  0
 21 38  1  0  0  0
 22 39  1  0  0  0
 22 40  1  0  0  0
M  END
$$$$
