TDP
  CCTOOLS-0919241033

 44 45  0  0  1  0  0  0  0  0999 V2000
    5.7930    2.2780    0.1900 N   0  0  0  0  0
    6.8390    1.5610    0.5480 C   0  0  0  0  0
    7.9430    2.2180    1.3360 C   0  0  0  0  0
    6.9500    0.2870    0.2300 N   0  0  0  0  0
    5.9920   -0.3260   -0.4600 C   0  0  0  0  0
    6.1100   -1.6670   -0.7870 N   0  0  0  0  0
    4.8700    0.4050   -0.8540 C   0  0  0  0  0
    4.8000    1.7390   -0.5030 C   0  0  0  0  0
    3.7630   -0.2450   -1.6430 C   0  0  0  0  0
    2.8290   -0.9010   -0.7240 N   0  3  0  0  0
    2.9880   -2.1750   -0.4490 C   0  0  0  0  0
    1.6770   -2.4790    0.6490 S   0  0  0  0  0
    0.9950   -0.8270    0.6570 C   0  0  0  0  0
    1.8530   -0.1990   -0.1880 C   0  0  0  0  0
    1.6850    1.2630   -0.5120 C   0  0  0  0  0
   -0.1970   -0.2810    1.3990 C   0  0  0  0  0
   -1.4520   -0.4420    0.5390 C   0  0  0  0  0
   -2.5820    0.0760    1.2430 O   0  0  0  0  0
   -3.8600   -0.1240    0.2840 P   0  0  0  0  0
   -5.1510    0.5570    0.9610 O   0  0  0  0  0
   -4.1310   -1.6970    0.0730 O   0  0  0  0  0
   -3.5970    0.5110   -1.0270 O   0  0  0  0  0
   -6.2710    0.6780   -0.1900 P   0  0  0  0  0
   -7.7020    0.9780    0.4840 O   0  0  0  0  0
   -5.9010    1.8320   -1.1480 O   0  5  0  0  0
   -6.3410   -0.6470   -0.9810 O   0  0  0  0  0
    7.7350    2.1220    2.4020 H   0  0  0  0  0
    8.8920    1.7340    1.1050 H   0  0  0  0  0
    8.0000    3.2740    1.0710 H   0  0  0  0  0
    5.4090   -2.1050   -1.2940 H   0  0  0  0  0
    6.8930   -2.1670   -0.5090 H   0  0  0  0  0
    3.9470    2.3360   -0.7910 H   0  0  0  0  0
    3.2330    0.5140   -2.2180 H   0  0  0  0  0
    4.1860   -0.9860   -2.3210 H   0  0  0  0  0
    3.7400   -2.8590   -0.8130 H   0  0  0  0  0
    2.3250    1.8550    0.1420 H   0  0  0  0  0
    1.9650    1.4390   -1.5500 H   0  0  0  0  0
    0.6450    1.5510   -0.3610 H   0  0  0  0  0
   -0.3250   -0.8280    2.3340 H   0  0  0  0  0
   -0.0380    0.7750    1.6160 H   0  0  0  0  0
   -1.3240    0.1050   -0.3950 H   0  0  0  0  0
   -1.6110   -1.4980    0.3220 H   0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0
  1  2  2  0  0  0
  1  8  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
  3 29  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  6 30  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 16  1  0  0  0
 14 15  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
 17 41  1  0  0  0
 17 42  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 21  2  0  0  0
 19 22  1  0  0  0
 20 23  1  0  0  0
 22 43  1  0  0  0
 23 24  2  0  0  0
 23 25  1  0  0  0
 23 26  1  0  0  0
 26 44  1  0  0  0
M  CHG  1  10   1
M  CHG  1  25  -1
M  END
$$$$
