D0JX3P
  -OEChem-10101305022D

 79 82  0     1  0  0  0  0  0999 V2000
    7.2566   -0.0171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244   -0.7614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6173   -3.9448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5637    3.1664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4884   -2.7075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -1.9181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    0.5210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2601   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2171   -1.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2746    2.0096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -1.1738    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9889   -1.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -0.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    1.4715    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320   -3.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -3.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2816   -2.4562    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6138   -1.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    1.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9065   -2.7880    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9710   -3.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    2.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2531    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9280   -2.9943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5743   -3.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5528   -3.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    3.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886    2.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2207   -4.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8635   -2.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8529    4.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4993    3.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8314    4.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1992   -3.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8420   -2.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5098   -2.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7748   -1.7631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684   -0.7604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751   -1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427   -2.5074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3350    1.0101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -3.1353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6957   -2.9176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0036    0.3932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -4.5293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9200    1.0581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5132    1.5904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4528   -1.6606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.7553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4924   -2.3266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3816   -3.2141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7784   -3.9960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5603   -3.5993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0480   -3.8600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8056   -4.1076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.3253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.9453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9356    3.2447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6027    2.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8238   -1.7097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8031   -1.3761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8605    2.4711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0820    1.4203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0281   -4.6598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4494   -1.9141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4388    4.7846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1059    3.9129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0240    5.1186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6132   -4.3257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0346   -1.5801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9024   -3.1689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2 21  2  0  0  0  0
  3 29  2  0  0  0  0
  4 28  2  0  0  0  0
  5 43  1  0  0  0  0
  5 79  1  0  0  0  0
 12  6  1  1  0  0  0
  6 21  1  0  0  0  0
  6 47  1  0  0  0  0
  7 16  1  0  0  0  0
 17  7  1  6  0  0  0
  7 51  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 52  1  0  0  0  0
 20  9  1  1  0  0  0
  9 29  1  0  0  0  0
  9 56  1  0  0  0  0
 25 10  1  1  0  0  0
 10 68  1  0  0  0  0
 10 69  1  0  0  0  0
 11 28  1  0  0  0  0
 11 70  1  0  0  0  0
 11 71  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 44  1  0  0  0  0
 13 14  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 18  1  0  0  0  0
 15 23  2  0  0  0  0
 17 22  1  0  0  0  0
 17 28  1  0  0  0  0
 17 48  1  0  0  0  0
 18 24  2  0  0  0  0
 19 49  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 20 50  1  0  0  0  0
 22 27  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 31  1  0  0  0  0
 23 55  1  0  0  0  0
 24 32  1  0  0  0  0
 24 57  1  0  0  0  0
 25 29  1  0  0  0  0
 25 30  1  0  0  0  0
 25 58  1  0  0  0  0
 26 59  1  0  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 27 34  2  0  0  0  0
 27 35  1  0  0  0  0
 30 33  1  0  0  0  0
 30 62  1  0  0  0  0
 30 63  1  0  0  0  0
 31 32  2  0  0  0  0
 31 64  1  0  0  0  0
 32 65  1  0  0  0  0
 33 36  2  0  0  0  0
 33 37  1  0  0  0  0
 34 38  1  0  0  0  0
 34 66  1  0  0  0  0
 35 39  2  0  0  0  0
 35 67  1  0  0  0  0
 36 41  1  0  0  0  0
 36 72  1  0  0  0  0
 37 42  2  0  0  0  0
 37 73  1  0  0  0  0
 38 40  2  0  0  0  0
 38 74  1  0  0  0  0
 39 40  1  0  0  0  0
 39 75  1  0  0  0  0
 40 76  1  0  0  0  0
 41 43  2  0  0  0  0
 41 77  1  0  0  0  0
 42 43  1  0  0  0  0
 42 78  1  0  0  0  0
M  END

$$$$