A1CRN
  CCTOOLS-0828261229

 46 48  0  0  1  0  0  0  0  0999 V2000
    2.3650   -0.1960   -0.0310 C   0  0  0  0  0
    0.1050   -0.9210   -0.3080 C   0  0  0  0  0
   -1.2490   -0.6660   -0.2740 C   0  0  0  0  0
    3.0740    2.1510    0.6730 N   0  0  0  0  0
   -3.4480   -0.9010   -0.4060 N   0  0  0  0  0
   -3.6490    2.3060    1.3620 N   0  0  0  0  0
   -4.1440    1.4580    0.2700 C   0  0  0  0  0
   -4.3540    2.3100   -0.9840 C   0  0  0  0  0
   -3.0940    2.8110   -1.4350 O   0  0  0  0  0
   -5.2800    3.4830   -0.6540 C   0  0  0  0  0
   -2.2940   -1.5830   -0.5710 C   0  0  0  0  0
    3.2730    0.8110    0.2890 C   0  0  0  0  0
    4.1840   -1.7140   -0.4190 C   0  0  0  0  0
    4.6400    0.5470    0.2520 C   0  0  0  0  0
    5.0890   -0.7180   -0.1030 C   0  0  0  0  0
   -3.1370    0.3750   -0.0220 C   0  0  0  0  0
    2.8260   -1.4590   -0.3790 C   0  0  0  0  0
   -1.8510    0.5170    0.0590 N   0  0  0  0  0
    6.5410   -1.0020   -0.1420 N   0  3  0  0  0
    0.9900    0.0630    0.0040 N   0  0  0  0  0
    5.3430    1.7100    0.6130 N   0  0  0  0  0
   -2.1740   -2.7490   -0.9070 O   0  0  0  0  0
    4.3750    2.8130    0.4660 O   0  0  0  0  0
    6.9370   -2.1110   -0.4530 O   0  0  0  0  0
    7.3410   -0.1260    0.1370 O   0  5  0  0  0
   -4.7980   -1.4350   -0.6010 C   0  0  0  0  0
   -5.3010   -2.0150    0.6960 C   0  0  0  0  0
   -4.6030   -1.9850    1.6820 O   0  0  0  0  0
    0.4630   -1.9020   -0.5830 H   0  0  0  0  0
   -2.7720    2.7390    1.1140 H   0  0  0  0  0
   -4.3340    3.0010    1.6190 H   0  0  0  0  0
   -5.0910    1.0040    0.5630 H   0  0  0  0  0
   -4.8040    1.7000   -1.7670 H   0  0  0  0  0
   -2.6350    3.3630   -0.7880 H   0  0  0  0  0
   -4.8290    4.0930    0.1290 H   0  0  0  0  0
   -5.4290    4.0900   -1.5470 H   0  0  0  0  0
   -6.2410    3.1010   -0.3100 H   0  0  0  0  0
    4.5380   -2.6970   -0.6910 H   0  0  0  0  0
    2.1230   -2.2400   -0.6270 H   0  0  0  0  0
   -5.4630   -0.6340   -0.9230 H   0  0  0  0  0
   -4.7740   -2.2150   -1.3620 H   0  0  0  0  0
   -6.5240   -2.5650    0.7560 O   0  0  0  0  0
    2.7870    2.2110    1.6380 H   0  0  0  0  0
    0.6690    0.9440    0.2510 H   0  0  0  0  0
    5.6810    1.6490    1.5620 H   0  0  0  0  0
   -6.8030   -2.9230    1.6090 H   0  0  0  0  0
  1 20  1  0  0  0
  2  3  2  0  0  0
  2 29  1  0  0  0
  3 11  1  0  0  0
  4 43  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8 33  1  0  0  0
  9  8  1  0  0  0
  9 34  1  0  0  0
 10  8  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11  5  1  0  0  0
 11 22  2  0  0  0
 12  4  1  0  0  0
 12  1  2  0  0  0
 13 17  2  0  0  0
 13 38  1  0  0  0
 14 12  1  0  0  0
 15 14  2  0  0  0
 15 13  1  0  0  0
 16  7  1  0  0  0
 16  5  1  0  0  0
 17  1  1  0  0  0
 17 39  1  0  0  0
 18  3  1  0  0  0
 18 16  2  0  0  0
 19 15  1  0  0  0
 20  2  1  0  0  0
 20 44  1  0  0  0
 21 14  1  0  0  0
 21 23  1  0  0  0
 21 45  1  0  0  0
 23  4  1  0  0  0
 24 19  2  0  0  0
 25 19  1  0  0  0
 26 27  1  0  0  0
 26 40  1  0  0  0
 26 41  1  0  0  0
 27 28  2  0  0  0
 27 42  1  0  0  0
 42 46  1  0  0  0
M  CHG  1  19   1
M  CHG  1  25  -1
M  END
$$$$
