XRQ
  CCTOOLS-0410261002

 45 48  0  0  0  0  0  0  0  0999 V2000
   -1.0240   -0.9510    0.0130 C   0  0  0  0  0
   -2.5020   -0.9370    0.0210 C   0  0  0  0  0
   -3.2150   -2.1370    0.0330 C   0  0  0  0  0
   -3.1920    0.2770    0.0220 C   0  0  0  0  0
    1.8460   -0.9090   -0.0020 C   0  0  0  0  0
    3.1860   -0.4790   -0.0180 C   0  0  0  0  0
    4.3820   -1.3570   -0.0200 C   0  0  0  0  0
    5.6590   -0.8000   -0.0370 C   0  0  0  0  0
    6.7670   -1.6220   -0.0380 C   0  0  0  0  0
    6.6130   -2.9960   -0.0240 C   0  0  0  0  0
    5.3470   -3.5550   -0.0070 C   0  0  0  0  0
   -0.3390    0.2100    0.0010 N   0  0  0  0  0
   -4.5940   -2.1160    0.0400 C   0  0  0  0  0
   -5.2710   -0.9100    0.0350 C   0  0  0  0  0
   -4.5710    0.2840    0.0290 C   0  0  0  0  0
   -0.4270   -2.0100    0.0220 O   0  0  0  0  0
    1.0540    0.1960   -0.0060 C   0  0  0  0  0
    4.2320   -2.7420    0.0000 C   0  0  0  0  0
    1.4530    2.6250   -0.0260 C   0  0  0  0  0
    0.2990    2.9920   -0.7070 C   0  0  0  0  0
   -0.1110    4.3100   -0.7080 C   0  0  0  0  0
    0.6250    5.2660   -0.0310 C   0  0  0  0  0
    1.7740    4.9040    0.6480 C   0  0  0  0  0
    2.1900    3.5870    0.6530 C   0  0  0  0  0
   -6.7520   -0.8950    0.0420 N   0  3  0  0  0
    3.1950    0.8380   -0.0310 N   0  0  0  0  0
    1.8690    1.2880   -0.0180 N   0  0  0  0  0
   -7.3710   -1.9440    0.0520 O   0  0  0  0  0
   -7.3500    0.1660    0.0380 O   0  5  0  0  0
   -2.6880   -3.0790    0.0360 H   0  0  0  0  0
   -2.6460    1.2090    0.0170 H   0  0  0  0  0
    1.5070   -1.9340    0.0070 H   0  0  0  0  0
    5.7810    0.2730   -0.0490 H   0  0  0  0  0
    7.7580   -1.1910   -0.0510 H   0  0  0  0  0
    7.4830   -3.6360   -0.0300 H   0  0  0  0  0
    5.2320   -4.6280    0.0040 H   0  0  0  0  0
   -0.8160    1.0540   -0.0020 H   0  0  0  0  0
   -5.1470   -3.0440    0.0490 H   0  0  0  0  0
   -5.1060    1.2220    0.0300 H   0  0  0  0  0
    3.2440   -3.1790    0.0130 H   0  0  0  0  0
   -0.2750    2.2460   -1.2360 H   0  0  0  0  0
   -1.0080    4.5960   -1.2380 H   0  0  0  0  0
    0.3020    6.2960   -0.0340 H   0  0  0  0  0
    2.3470    5.6530    1.1750 H   0  0  0  0  0
    3.0870    3.3060    1.1840 H   0  0  0  0  0
  1  2  1  0  0  0
  2  3  2  0  0  0
  2  4  1  0  0  0
  3 13  1  0  0  0
  3 30  1  0  0  0
  4 15  2  0  0  0
  4 31  1  0  0  0
  5 17  2  0  0  0
  5 32  1  0  0  0
  6  5  1  0  0  0
  6 26  2  0  0  0
  7  6  1  0  0  0
  8  7  1  0  0  0
  8 33  1  0  0  0
  9  8  2  0  0  0
  9 34  1  0  0  0
 10 11  2  0  0  0
 10  9  1  0  0  0
 10 35  1  0  0  0
 11 18  1  0  0  0
 11 36  1  0  0  0
 12  1  1  0  0  0
 12 37  1  0  0  0
 13 14  2  0  0  0
 13 38  1  0  0  0
 14 25  1  0  0  0
 15 14  1  0  0  0
 15 39  1  0  0  0
 16  1  2  0  0  0
 17 27  1  0  0  0
 17 12  1  0  0  0
 18  7  2  0  0  0
 18 40  1  0  0  0
 19 24  2  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 41  1  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 22 43  1  0  0  0
 23 22  2  0  0  0
 23 44  1  0  0  0
 24 23  1  0  0  0
 24 45  1  0  0  0
 25 28  2  0  0  0
 25 29  1  0  0  0
 26 27  1  0  0  0
 27 19  1  0  0  0
M  CHG  1  25   1
M  CHG  1  29  -1
M  END
$$$$
