ALIS7
  CCTOOLS-0807261402

 40 43  0  0  1  0  0  0  0  0999 V2000
    2.9630    1.4930   -0.1900 N   0  0  0  0  0
    3.9480    1.1380    0.6400 C   0  0  0  0  0
    4.8420    2.0510    1.0120 N   0  0  0  0  0
    4.0890   -0.1310    1.1270 N   0  0  0  0  0
    3.2060   -1.1560    0.8050 C   0  0  0  0  0
    3.3840   -2.2780    1.2670 O   0  0  0  0  0
    1.1890   -1.7040   -0.5030 N   0  0  0  0  0
    0.2070   -1.4250   -1.5530 C   0  0  0  0  0
   -0.0760    0.1010   -1.7240 C   0  0  0  0  0
    1.0660    0.9440   -1.3910 N   0  0  0  0  0
    2.1430   -0.7840   -0.0980 C   0  0  0  0  0
    2.0560    0.5500   -0.5440 C   0  0  0  0  0
   -1.0720   -2.2380   -1.3140 C   0  0  0  0  0
   -0.9770   -3.9060   -1.3660 S   0  5  0  0  0
   -2.2740   -1.6730   -1.0930 C   0  0  0  0  0
   -3.5710   -2.7330   -0.9890 S   0  5  0  0  0
   -2.4430   -0.1660   -0.9720 C   0  0  0  0  0
   -1.1740    0.5140   -0.8900 O   0  0  0  0  0
   -3.2230    0.3000    0.2570 C   0  0  0  0  0
   -3.3810    1.7400    0.2320 O   0  0  0  0  0
   -4.1120    2.5010    1.4650 P   0  0  0  0  0
   -5.5190    1.9290    1.5710 O   0  5  0  0  0
   -4.1150    3.9720    1.0770 O   0  5  0  0  0
   -3.2690    2.2350    2.7040 O   0  0  0  0  0
   -2.8110   -4.7230   -0.5030 MO  0  0  0  0  0
   -1.6510   -5.2680    0.6880 O   0  6  0  0  0
    4.7820    2.8740    0.7140 H   0  0  0  0  0
    5.4970    1.8380    1.5570 H   0  0  0  0  0
    4.7590   -0.3100    1.6680 H   0  0  0  0  0
    1.1860   -2.4810   -0.1100 H   0  0  0  0  0
    0.5910   -1.7320   -2.4130 H   0  0  0  0  0
   -0.3110    0.2760   -2.6700 H   0  0  0  0  0
    1.1240    1.7480   -1.7550 H   0  0  0  0  0
   -2.9260    0.1440   -1.7840 H   0  0  0  0  0
   -2.7410    0.0270    1.0680 H   0  0  0  0  0
   -4.1050   -0.1300    0.2670 H   0  0  0  0  0
    7.1830    1.0680    0.1620 H   0  0  0  0  0
    4.4290    2.8910   -0.8660 H   0  0  0  0  0
   -3.6650   -4.3530    0.9800 O   0  5  0  0  0
   -4.5020   -4.5570    0.8900 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  CHG  1  14  -1
M  CHG  1  16  -1
M  CHG  1  22  -1
M  CHG  1  23  -1
M  CHG  1  26  -2
M  CHG  1  39  -1
M  END
$$$$
