DAQ
  CCTOOLS-0807261402

 41 41  0  0  1  0  0  0  0  0999 V2000
    3.5920    2.4270   -1.2540 BE  0  2  0  0  0
    2.5050    2.0820   -0.2030 F   0  5  0  0  0
    3.1850    1.8150   -2.6180 F   0  5  0  0  0
    3.7000    3.9670   -1.4030 F   0  5  0  0  0
    5.4170    2.2470    0.5950 P   0  0  0  0  0
    6.9160    2.3540    0.7900 O   0  0  0  0  0
    4.6780    3.4910    1.0470 O   0  5  0  0  0
    5.0400    1.8160   -0.8100 O   0  5  0  0  0
    4.9220    1.0540    1.5740 O   0  0  0  0  0
    4.6350   -0.5010    1.3280 P   0  0  0  0  0
    5.7680   -1.0760    0.5580 O   0  5  0  0  0
    4.2600   -1.1230    2.6230 O   0  0  0  0  0
    3.3490   -0.4010    0.3900 O   0  0  0  0  0
   -0.8870   -0.6630   -0.9100 N   0  0  0  0  0
    1.5030   -1.2360   -0.8980 C   0  0  0  0  0
    2.7390   -1.5530   -0.0760 C   0  0  0  0  0
   -2.1280   -0.2320   -0.5380 C   0  0  0  0  0
   -2.3760    0.2970    0.7660 C   0  0  0  0  0
   -3.6240    0.7320    1.1460 C   0  0  0  0  0
   -4.6890    0.6540    0.2550 C   0  0  0  0  0
   -4.5180    0.1510   -1.0100 C   0  0  0  0  0
   -3.2640   -0.2920   -1.4200 C   0  0  0  0  0
   -6.0280    1.1210    0.6730 N   0  3  0  0  0
   -6.1740    1.5720    1.8020 O   0  0  0  0  0
   -6.9610    1.0470   -0.1170 O   0  5  0  0  0
   -3.1660   -0.8140   -2.7790 N   0  3  0  0  0
   -4.1590   -0.8480   -3.4960 O   0  0  0  0  0
   -2.0790   -1.2100   -3.1760 O   0  5  0  0  0
    0.3200   -0.7360   -0.0860 C   0  0  0  0  0
    7.7710   -0.7940   -3.2080 H   0  0  0  0  0
    2.8810    1.6440   -0.5910 H   0  0  0  0  0
   -0.8200   -0.9170   -1.7480 H   0  0  0  0  0
    1.2300   -2.0460   -1.3810 H   0  0  0  0  0
    1.7340   -0.5530   -1.5640 H   0  0  0  0  0
    2.4930   -2.1250    0.6850 H   0  0  0  0  0
    3.3760   -2.0540   -0.6320 H   0  0  0  0  0
   -1.6710    0.3620    1.3840 H   0  0  0  0  0
   -3.7460    1.0780    2.0160 H   0  0  0  0  0
   -5.2390    0.1040   -1.6010 H   0  0  0  0  0
    0.1490   -1.3360    0.6750 H   0  0  0  0  0
    0.5180    0.1580    0.2760 H   0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1  8  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  5  8  1  0  0  0
  5  9  1  0  0  0
  7 30  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 12  2  0  0  0
 10 13  1  0  0  0
 11 31  1  0  0  0
 13 16  1  0  0  0
 14 17  1  0  0  0
 14 29  1  0  0  0
 14 32  1  0  0  0
 15 16  1  0  0  0
 15 29  1  0  0  0
 15 33  1  0  0  0
 15 34  1  0  0  0
 16 35  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 19 20  2  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 39  1  0  0  0
 22 26  1  0  0  0
 23 24  2  0  0  0
 23 25  1  0  0  0
 26 27  2  0  0  0
 26 28  1  0  0  0
 29 40  1  0  0  0
 29 41  1  0  0  0
M  CHG  1   1   2
M  CHG  1   2  -1
M  CHG  1   3  -1
M  CHG  1   4  -1
M  CHG  1   7  -1
M  CHG  1   8  -1
M  CHG  1  11  -1
M  CHG  1  23   1
M  CHG  1  25  -1
M  CHG  1  26   1
M  CHG  1  28  -1
M  END
$$$$
