MSS
  CCTOOLS-0807261403

 38 41  0  0  1  0  0  0  0  0999 V2000
   -3.5670   -0.6440   -1.4010 N   0  0  0  0  0
   -4.5000   -1.2220   -0.6390 C   0  0  0  0  0
   -5.4460   -1.9560   -1.2180 N   0  0  0  0  0
   -4.5360   -1.0900    0.7210 N   0  0  0  0  0
   -3.5910   -0.3500    1.4240 C   0  0  0  0  0
   -3.6750   -0.2600    2.6450 O   0  0  0  0  0
   -1.5760    1.0500    1.1750 N   0  0  0  0  0
   -0.6370    1.8460    0.3830 C   0  0  0  0  0
   -0.4650    1.2970   -1.0680 C   0  0  0  0  0
   -1.6680    0.6610   -1.5890 N   0  0  0  0  0
   -2.5830    0.2830    0.6090 C   0  0  0  0  0
   -2.6040    0.0850   -0.7860 C   0  0  0  0  0
    0.7000    1.9820    1.1230 C   0  0  0  0  0
    0.6920    2.8330    2.5650 S   0  5  0  0  0
    1.8580    1.4670    0.6520 C   0  0  0  0  0
    3.2640    1.7850    1.5170 S   0  5  0  0  0
    1.9070    0.6430   -0.6250 C   0  0  0  0  0
    0.5920    0.3210   -1.1240 O   0  0  0  0  0
    2.6390   -0.6950   -0.4790 C   0  0  0  0  0
    4.0390   -0.5270   -0.7730 O   0  0  0  0  0
    5.1490   -1.4720   -0.1850 P   0  0  0  0  0
    5.1920   -1.2030    1.3340 O   0  0  0  0  0
    6.4890   -0.9660   -0.7590 O   0  0  0  0  0
    4.9040   -2.9070   -0.5030 O   0  0  0  0  0
    2.6590    2.3560    3.6630 MO  0  0  0  0  0
    2.1390    0.8020    3.9260 O   0  6  0  0  0
   -5.4540   -2.0560   -2.0900 H   0  0  0  0  0
   -6.0680   -2.3440   -0.7350 H   0  0  0  0  0
   -5.1770   -1.4890    1.1730 H   0  0  0  0  0
   -1.5130    1.0520    2.0430 H   0  0  0  0  0
   -1.0160    2.7570    0.2910 H   0  0  0  0  0
   -0.2370    2.0490   -1.6700 H   0  0  0  0  0
   -1.8020    0.6480   -2.4630 H   0  0  0  0  0
    2.3840    1.1880   -1.3060 H   0  0  0  0  0
    2.2450   -1.3520   -1.0940 H   0  0  0  0  0
    2.5230   -1.0290    0.4370 H   0  0  0  0  0
    5.8080   -1.7180    1.7070 H   0  0  0  0  0
    6.4670   -1.0110   -1.6430 H   0  0  0  0  0
  1  2  2  0  0  0
  1 12  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 11  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 18  1  0  0  0
  9 32  1  0  0  0
 10 12  1  0  0  0
 10 33  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 15  2  0  0  0
 14 25  1  0  0  0
 15 16  1  0  0  0
 15 17  1  0  0  0
 16 25  1  0  0  0
 17 18  1  0  0  0
 17 19  1  0  0  0
 17 34  1  0  0  0
 19 20  1  0  0  0
 19 35  1  0  0  0
 19 36  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 23  1  0  0  0
 21 24  2  0  0  0
 22 37  1  0  0  0
 23 38  1  0  0  0
 25 26  2  0  0  0
M  CHG  1  14  -1
M  CHG  1  16  -1
M  CHG  1  26  -2
M  END
$$$$
