ALIS7
  CCTOOLS-0515260948

 40 43  0  0  1  0  0  0  0  0999 V2000
   -4.6420    1.8900   -1.0150 N   0  0  0  0  0
   -5.3390    2.4330   -0.0390 C   0  0  0  0  0
   -6.6950    2.5790   -0.1860 N   0  0  0  0  0
   -4.7460    2.8520    1.1120 N   0  0  0  0  0
   -3.4140    2.7100    1.2820 C   0  0  0  0  0
   -2.8720    3.0770    2.3130 O   0  0  0  0  0
   -1.2730    1.9530    0.3770 N   0  0  0  0  0
   -0.4810    1.6780   -0.8330 C   0  0  0  0  0
   -1.2350    0.6740   -1.6940 C   0  0  0  0  0
   -2.5920    1.1700   -1.9490 N   0  0  0  0  0
   -2.6680    2.1320    0.2490 C   0  0  0  0  0
   -3.3180    1.7290   -0.9090 C   0  0  0  0  0
    0.8670    1.0860   -0.3540 C   0  0  0  0  0
    2.0260    2.3870    0.1780 S   0  0  0  0  0
    1.0630   -0.2250   -0.3640 C   0  0  0  0  0
    2.5510   -1.1360    0.1610 S   0  0  0  0  0
   -0.0430   -1.1780   -0.8740 C   0  0  0  0  0
   -1.3040   -0.5420   -0.9400 O   0  0  0  0  0
   -0.1400   -2.3770    0.0720 C   0  0  0  0  0
   -1.0770   -3.3220   -0.4510 O   0  0  0  0  0
   -1.4290   -4.7080    0.2870 P   0  0  0  0  0
   -2.1510   -4.3990    1.6930 O   0  0  0  0  0
   -2.4160   -5.5760   -0.6430 O   0  0  0  0  0
   -0.1830   -5.4690    0.5290 O   0  0  0  0  0
    3.9450    0.8730    0.1160 MO  0  0  0  0  0
    4.9540    1.0160    1.5300 O   0  0  0  0  0
   -7.1290    2.2840   -1.0020 H   0  0  0  0  0
   -7.2200    2.9780    0.5260 H   0  0  0  0  0
   -5.2830    3.2540    1.8140 H   0  0  0  0  0
   -0.8450    2.0110    1.2450 H   0  0  0  0  0
   -0.3180    2.6000   -1.3910 H   0  0  0  0  0
   -0.7090    0.5170   -2.6360 H   0  0  0  0  0
   -2.9770    1.1080   -2.8370 H   0  0  0  0  0
    0.2260   -1.5340   -1.8680 H   0  0  0  0  0
    0.8380   -2.8490    0.1620 H   0  0  0  0  0
   -0.4740   -2.0400    1.0530 H   0  0  0  0  0
   -2.9760   -3.9020    1.6110 H   0  0  0  0  0
   -2.6710   -6.4260   -0.2600 H   0  0  0  0  0
    4.9950    1.0380   -1.5790 O   0  0  0  0  0
    5.7600    0.4480   -1.6260 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
 25 39  1  0  0  0
 39 40  1  0  0  0
M  END
$$$$
