A1EYP
  CCTOOLS-0619261019

 56 57  0  0  1  0  0  0  0  0999 V2000
    8.1330    0.5060   -0.1930 C   0  0  0  0  0
    8.8780   -0.3900    0.1250 O   0  0  0  0  0
    6.7970    0.1900   -0.8140 C   0  0  0  0  0
    6.8230   -1.1710   -1.3650 N   0  0  0  0  0
    5.7030    0.2880    0.2520 C   0  0  0  0  0
    4.3350    0.0900   -0.4020 C   0  0  0  0  0
    3.2410    0.1880    0.6640 C   0  0  0  0  0
    1.8720   -0.0100    0.0100 C   0  0  0  0  0
    0.8220    0.0830    1.0330 N   0  0  0  0  0
   -0.5090   -0.1020    0.4400 C   0  0  0  0  0
   -1.4740   -0.6140    1.5110 C   0  0  0  0  0
   -2.9000   -0.5530    0.9490 C   0  0  0  0  0
   -2.9500   -1.2690   -0.4030 C   0  0  0  0  0
   -2.7090   -2.7010   -0.2060 N   0  3  0  0  0
   -1.8070   -3.0720    0.5230 O   0  5  0  0  0
   -3.4110   -3.5190   -0.7720 O   0  0  0  0  0
   -0.9950    1.2070   -0.1100 C   0  0  0  0  0
   -2.2040    1.6480    0.0280 C   0  0  0  0  0
   -3.2860    0.9160    0.7670 C   0  0  0  0  0
   -3.4880    1.5610    2.1400 C   0  0  0  0  0
   -4.5710    1.0020   -0.0150 C   0  0  0  0  0
   -4.5750    1.5650   -1.2780 C   0  0  0  0  0
   -5.7540    1.6440   -1.9960 C   0  0  0  0  0
   -6.9280    1.1590   -1.4510 C   0  0  0  0  0
   -6.9240    0.5960   -0.1890 C   0  0  0  0  0
   -5.7450    0.5130    0.5270 C   0  0  0  0  0
    6.5900    0.9020   -1.6120 H   0  0  0  0  0
    7.0130   -1.8500   -0.6440 H   0  0  0  0  0
    5.9600   -1.3840   -1.8440 H   0  0  0  0  0
    5.8610   -0.4840    1.0060 H   0  0  0  0  0
    5.7420    1.2700    0.7240 H   0  0  0  0  0
    4.1770    0.8620   -1.1560 H   0  0  0  0  0
    4.2960   -0.8920   -0.8730 H   0  0  0  0  0
    3.3990   -0.5840    1.4180 H   0  0  0  0  0
    3.2800    1.1690    1.1360 H   0  0  0  0  0
    1.7150    0.7620   -0.7440 H   0  0  0  0  0
    1.8330   -0.9920   -0.4620 H   0  0  0  0  0
    0.9830   -0.5790    1.7770 H   0  0  0  0  0
   -0.4460   -0.8300   -0.3680 H   0  0  0  0  0
   -1.2250   -1.6440    1.7670 H   0  0  0  0  0
   -1.4030    0.0140    2.3990 H   0  0  0  0  0
   -3.5890   -1.0300    1.6450 H   0  0  0  0  0
   -3.9320   -1.1240   -0.8540 H   0  0  0  0  0
   -2.1840   -0.8580   -1.0600 H   0  0  0  0  0
   -0.2920    1.8190   -0.6550 H   0  0  0  0  0
   -2.4490    2.6010   -0.4160 H   0  0  0  0  0
   -2.5620    1.4950    2.7120 H   0  0  0  0  0
   -3.7630    2.6080    2.0130 H   0  0  0  0  0
   -4.2820    1.0390    2.6740 H   0  0  0  0  0
   -3.6580    1.9440   -1.7030 H   0  0  0  0  0
   -5.7570    2.0850   -2.9820 H   0  0  0  0  0
   -7.8490    1.2210   -2.0120 H   0  0  0  0  0
   -7.8420    0.2170    0.2360 H   0  0  0  0  0
   -5.7400    0.0690    1.5110 H   0  0  0  0  0
    8.4930    1.7830    0.0120 O   0  0  0  0  0
    9.3600    1.9360    0.4130 H   0  0  0  0  0
  1  3  1  0  0  0
  1 55  1  0  0  0
  2  1  2  0  0  0
  3 27  1  0  0  0
  4  3  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  3  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 11 41  1  0  0  0
 12 19  1  0  0  0
 12 13  1  0  0  0
 12 42  1  0  0  0
 13 43  1  0  0  0
 13 44  1  0  0  0
 14 16  2  0  0  0
 14 13  1  0  0  0
 15 14  1  0  0  0
 17 10  1  0  0  0
 17 18  2  0  0  0
 17 45  1  0  0  0
 18 19  1  0  0  0
 18 46  1  0  0  0
 19 21  1  0  0  0
 20 19  1  0  0  0
 20 47  1  0  0  0
 20 48  1  0  0  0
 20 49  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 50  1  0  0  0
 23 24  2  0  0  0
 23 51  1  0  0  0
 24 52  1  0  0  0
 25 24  1  0  0  0
 25 53  1  0  0  0
 26 25  2  0  0  0
 26 54  1  0  0  0
 55 56  1  0  0  0
M  CHG  1  14   1
M  CHG  1  15  -1
M  END
$$$$
