128
  CCTOOLS-0410261002

 62 66  0  0  1  0  0  0  0  0999 V2000
    8.2150    0.6850   -1.1400 P   0  0  0  0  0
    8.9870   -0.5560   -0.9070 O   0  0  0  0  0
    8.7820    1.8560   -0.1930 O   0  0  0  0  0
    8.3580    1.1240   -2.6820 O   0  0  0  0  0
    5.8920   -0.3060    0.4130 P   0  0  0  0  0
    6.4850    0.1170    1.7010 O   0  0  0  0  0
    6.0330   -1.9020    0.2550 O   0  0  0  0  0
    6.6630    0.4230   -0.7980 O   0  0  0  0  0
    3.1480    0.0730    1.4680 P   0  0  0  0  0
    3.2490   -1.1620    2.2770 O   0  0  0  0  0
    3.2740    1.3570    2.4320 O   0  0  0  0  0
    4.3350    0.1010    0.3800 O   0  0  0  0  0
    1.7270    0.1060    0.7130 O   0  0  0  0  0
    0.4790   -0.0120    1.3980 C   0  0  0  0  0
   -0.6670    0.0580    0.3870 C   0  0  0  0  0
   -0.6390   -1.0890   -0.4740 O   0  0  0  0  0
   -2.0270    0.0030    1.1180 C   0  0  0  0  0
   -2.5330    1.3400    1.2700 O   0  0  0  0  0
   -2.9460   -0.6110    0.0130 C   0  0  0  0  0
   -3.2610    0.5430   -0.7970 O   0  0  0  0  0
   -1.9730   -1.5110   -0.7720 C   0  0  0  0  0
   -2.1530   -2.9070   -0.3660 N   0  0  0  0  0
   -1.4290   -3.5720    0.5790 C   0  0  0  0  0
   -1.8560   -4.7970    0.6850 N   0  0  0  0  0
   -2.8780   -4.9950   -0.1820 C   0  0  0  0  0
   -3.7050   -6.0850   -0.5030 C   0  0  0  0  0
   -3.5520   -7.3020    0.1390 N   0  0  0  0  0
   -4.6370   -5.9200   -1.4350 N   0  0  0  0  0
   -4.7900   -4.7630   -2.0520 C   0  0  0  0  0
   -4.0390   -3.7150   -1.7860 N   0  0  0  0  0
   -3.0840   -3.7830   -0.8630 C   0  0  0  0  0
   -3.3080    1.6480    0.1110 C   0  0  0  0  0
   -4.7430    1.8060    0.5540 C   0  0  0  0  0
   -5.3600    2.9830    0.3130 C   0  0  0  0  0
   -4.6970    4.0310   -0.3270 C   0  0  0  0  0
   -3.3720    3.9450   -0.7590 C   0  0  0  0  0
   -2.6470    2.8210   -0.5760 C   0  0  0  0  0
   -5.4550    0.7000    1.2330 N   0  3  0  0  0
   -5.4330    5.2930   -0.5600 N   0  3  0  0  0
   -1.2420    2.7390   -1.0370 N   0  3  0  0  0
   -6.1550   -0.0600    0.5890 O   0  0  0  0  0
   -5.3400    0.5500    2.4370 O   0  5  0  0  0
   -6.7790    5.4160   -0.1360 O   0  5  0  0  0
   -4.7920    6.3780   -1.2060 O   0  5  0  0  0
   -0.3450    3.1680   -0.3340 O   0  0  0  0  0
   -0.9840    2.2430   -2.1190 O   0  5  0  0  0
    8.3220    2.7010   -0.2930 H   0  0  0  0  0
    9.2680    1.2990   -2.9580 H   0  0  0  0  0
    5.6650   -2.2500   -0.5680 H   0  0  0  0  0
    3.2170    2.2040    1.9680 H   0  0  0  0  0
    0.4420   -0.9670    1.9230 H   0  0  0  0  0
    0.3800    0.8020    2.1170 H   0  0  0  0  0
   -0.5930    0.9730   -0.2020 H   0  0  0  0  0
   -1.9990   -0.5610    2.0500 H   0  0  0  0  0
   -3.8250   -1.1270    0.4020 H   0  0  0  0  0
   -2.1610   -1.4110   -1.8410 H   0  0  0  0  0
   -0.6210   -3.1450    1.1540 H   0  0  0  0  0
   -2.8680   -7.4100    0.8180 H   0  0  0  0  0
   -4.1290   -8.0470   -0.0910 H   0  0  0  0  0
   -5.5600   -4.6720   -2.8040 H   0  0  0  0  0
   -6.3860    3.1160    0.6210 H   0  0  0  0  0
   -2.9190    4.7940   -1.2480 H   0  0  0  0  0
  1  2  2  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1  8  1  0  0  0
  3 47  1  0  0  0
  4 48  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  5  8  1  0  0  0
  5 12  1  0  0  0
  7 49  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
  9 12  1  0  0  0
  9 13  1  0  0  0
 11 50  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 51  1  0  0  0
 14 52  1  0  0  0
 15 16  1  0  0  0
 15 17  1  0  0  0
 15 53  1  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 19  1  0  0  0
 17 54  1  0  0  0
 18 32  1  0  0  0
 19 20  1  0  0  0
 19 21  1  0  0  0
 19 55  1  0  0  0
 20 32  1  0  0  0
 21 22  1  0  0  0
 21 56  1  0  0  0
 22 23  1  0  0  0
 22 31  1  0  0  0
 23 24  2  0  0  0
 23 57  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 31  2  0  0  0
 26 27  1  0  0  0
 26 28  2  0  0  0
 27 58  1  0  0  0
 27 59  1  0  0  0
 28 29  1  0  0  0
 29 30  2  0  0  0
 29 60  1  0  0  0
 30 31  1  0  0  0
 32 33  1  0  0  0
 32 37  1  0  0  0
 33 34  2  0  0  0
 33 38  1  0  0  0
 34 35  1  0  0  0
 34 61  1  0  0  0
 35 36  1  0  0  0
 35 39  2  0  0  0
 36 37  2  0  0  0
 36 62  1  0  0  0
 37 40  1  0  0  0
 38 41  2  0  0  0
 38 42  1  0  0  0
 39 43  1  0  0  0
 39 44  1  0  0  0
 40 45  2  0  0  0
 40 46  1  0  0  0
M  CHG  1  38   1
M  CHG  1  39   1
M  CHG  1  40   1
M  CHG  1  42  -1
M  CHG  1  43  -1
M  CHG  1  44  -1
M  CHG  1  46  -1
M  END
$$$$
