A1JNV
  CCTOOLS-0220260952

 38 38  0  0  1  0  0  0  0  0999 V2000
   -4.0640    0.3010    0.8060 N   0  0  0  0  0
    2.9930    0.2670   -0.9920 C   0  0  0  0  0
    3.6530   -0.9480   -0.9790 C   0  0  0  0  0
   -0.7300    0.1420   -0.8590 N   0  0  0  0  0
    4.9140   -1.0440   -0.4210 C   0  0  0  0  0
   -5.9710    1.1880   -0.4850 O   0  0  0  0  0
   -2.8290    2.0710   -0.3440 C   0  0  0  0  0
    0.5790    0.1030   -0.5430 C   0  0  0  0  0
    1.6190    0.3710   -1.6000 C   0  0  0  0  0
    6.8650   -0.0280    0.7250 N   0  3  0  0  0
   -1.9620   -1.6050    0.2890 C   0  0  0  0  0
   -1.7410   -0.1190    0.1690 C   0  0  0  0  0
   -3.0540    0.5620   -0.2220 C   0  0  0  0  0
    5.5150    0.0750    0.1260 C   0  0  0  0  0
    4.8550    1.2900    0.1130 C   0  0  0  0  0
    3.5920    1.3840   -0.4400 C   0  0  0  0  0
   -5.6510    0.1040    0.3760 S   0  0  0  0  0
   -5.7350   -1.1580   -0.4710 O   0  0  0  0  0
   -6.3610   -0.1710    1.5760 O   0  0  0  0  0
   -1.3410   -2.3670   -0.4120 O   0  0  0  0  0
    0.9210   -0.1490    0.5930 O   0  0  0  0  0
    7.4460   -1.0980    0.7360 O   0  0  0  0  0
    7.3940    0.9580    1.2060 O   0  0  0  0  0
   -3.8030    0.2400    1.7380 H   0  0  0  0  0
    3.1840   -1.8220   -1.4060 H   0  0  0  0  0
   -1.0040    0.3430   -1.7680 H   0  0  0  0  0
    5.4300   -1.9930   -0.4110 H   0  0  0  0  0
   -2.0770    2.2650   -1.1090 H   0  0  0  0  0
   -3.7640    2.5560   -0.6230 H   0  0  0  0  0
   -2.4840    2.4660    0.6120 H   0  0  0  0  0
    1.4750    1.3730   -2.0040 H   0  0  0  0  0
    1.5200   -0.3610   -2.4010 H   0  0  0  0  0
   -2.6780   -1.9880    1.0020 H   0  0  0  0  0
   -1.3970    0.2750    1.1250 H   0  0  0  0  0
   -3.3980    0.1680   -1.1780 H   0  0  0  0  0
    5.3240    2.1640    0.5400 H   0  0  0  0  0
    3.0760    2.3330   -0.4500 H   0  0  0  0  0
   -6.6270   -1.3670   -0.7780 H   0  0  0  0  0
  1 17  1  0  0  0
  1 24  1  0  0  0
  2  9  1  0  0  0
  3  2  2  0  0  0
  3 25  1  0  0  0
  4 12  1  0  0  0
  4 26  1  0  0  0
  5  3  1  0  0  0
  5 27  1  0  0  0
  6 17  2  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8 21  2  0  0  0
  8  4  1  0  0  0
  9  8  1  0  0  0
  9 31  1  0  0  0
  9 32  1  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 13  7  1  0  0  0
 13  1  1  0  0  0
 13 35  1  0  0  0
 14  5  2  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 36  1  0  0  0
 16  2  1  0  0  0
 16 37  1  0  0  0
 17 19  2  0  0  0
 17 18  1  0  0  0
 18 38  1  0  0  0
 20 11  2  0  0  0
 22 10  2  0  0  0
 23 10  2  0  0  0
M  CHG  1  10   1
M  END
$$$$
