MTQ
  CCTOOLS-0807261403

 39 42  0  0  1  0  0  0  0  0999 V2000
   -4.7070    1.7960   -1.0120 N   0  0  0  0  0
   -5.3830    2.4360   -0.0540 C   0  0  0  0  0
   -6.7040    2.5490   -0.1580 N   0  0  0  0  0
   -4.7780    2.9950    1.0370 N   0  0  0  0  0
   -3.4040    2.9270    1.2450 C   0  0  0  0  0
   -2.9130    3.4520    2.2400 O   0  0  0  0  0
   -1.2870    2.0980    0.2840 N   0  0  0  0  0
   -0.4910    1.6140   -0.8450 C   0  0  0  0  0
   -1.3000    0.6400   -1.7560 C   0  0  0  0  0
   -2.7020    1.0220   -1.8660 N   0  0  0  0  0
   -2.6640    2.2460    0.2110 C   0  0  0  0  0
   -3.3630    1.6800   -0.8740 C   0  0  0  0  0
    0.8240    0.9900   -0.3710 C   0  0  0  0  0
    1.9830    2.0430    0.2220 S   0  5  0  0  0
    1.0750   -0.3340   -0.4620 C   0  0  0  0  0
    2.6280   -0.8860   -0.1290 S   0  5  0  0  0
   -0.0040   -1.3240   -0.8710 C   0  0  0  0  0
   -1.2510   -0.7070   -1.2530 O   0  0  0  0  0
   -0.3920   -2.2960    0.2420 C   0  0  0  0  0
   -1.1950   -3.3600   -0.2980 O   0  0  0  0  0
   -1.4090   -4.7190    0.4640 P   0  0  0  0  0
   -1.9880   -4.5250    1.8240 O   0  0  0  0  0
   -2.3190   -5.5770   -0.4400 O   0  0  0  0  0
   -0.0380   -5.4260    0.5020 O   0  0  0  0  0
    3.9420    0.8970    0.4360 MO  0  0  0  0  0
    4.8120    2.2520    0.8380 O   0  6  0  0  0
    4.2720    1.1620   -1.1700 O   0  6  0  0  0
   -7.1230    2.2060   -0.8500 H   0  0  0  0  0
   -7.1670    2.9660    0.4610 H   0  0  0  0  0
   -0.9100    0.6550   -2.6650 H   0  0  0  0  0
   -3.1450    0.8240   -2.6060 H   0  0  0  0  0
   -0.8930   -1.8120    0.9330 H   0  0  0  0  0
    0.4190   -2.6630    0.6540 H   0  0  0  0  0
   -2.4690   -6.3590   -0.0510 H   0  0  0  0  0
    0.2430   -5.5700   -0.3260 H   0  0  0  0  0
   -5.2720    3.4090    1.6360 H   0  0  0  0  0
   -0.8920    2.3060    1.0310 H   0  0  0  0  0
    0.3480   -1.8500   -1.6380 H   0  0  0  0  0
   -0.2600    2.3950   -1.4090 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 28  1  0  0  0
  3 29  1  0  0  0
  4  5  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
  8  9  1  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 18  1  0  0  0
  9 30  1  0  0  0
 10 12  1  0  0  0
 10 31  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
 19 20  1  0  0  0
 19 32  1  0  0  0
 19 33  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 23  1  0  0  0
 21 24  1  0  0  0
 23 34  1  0  0  0
 24 35  1  0  0  0
 25 26  2  0  0  0
 25 27  2  0  0  0
 36  4  1  0  0  0
 37  7  1  0  0  0
 38 17  1  0  0  0
 39  8  1  0  0  0
M  CHG  1  14  -1
M  CHG  1  16  -1
M  CHG  1  26  -2
M  CHG  1  27  -2
M  END
$$$$
