B0PEK3
  -OEChem-04012113142D

 80 84  0     1  0  0  0  0  0999 V2000
    4.6238    0.8561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679   -2.7388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2362    3.2783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6077   -1.2355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0008    0.8168    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1348    0.3168    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0008    1.8168    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2687    0.8168    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3587    0.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9470    2.1216    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3507   -0.7316    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1348    2.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2687    1.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9470    0.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1508   -0.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5306    1.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2528   -1.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    0.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4153   -1.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0008    2.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3664    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2577    3.0721    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4840    0.3461    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4756   -0.7389    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5898    3.8164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5468    4.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9040    2.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038   -2.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359   -2.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -2.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -2.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -4.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0907   -0.0284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8741   -0.1025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0048    1.2418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7867    2.2534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3540   -1.5816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5333    2.7918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7362    2.7918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0567    2.3994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6582    1.7092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6960   -0.0548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4844    0.2029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3688   -1.3051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7600   -0.6092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9915    0.9021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9915    1.7316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8555   -1.7284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6537   -1.7253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8401    1.3407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0420    1.3561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0180   -1.7573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8162   -1.7542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6208    2.8168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0008    3.4368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3808    2.8168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9864    1.3052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3712    1.9299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7464    1.3147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6717    2.6106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9441    0.0413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9405   -0.4258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0513    4.2304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1758    4.2778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1283    3.4023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0720   -0.9234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    1.4760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1362    4.0362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7394    4.8181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9575    4.4214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4425    2.1199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3181    2.0725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3655    2.9480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742   -1.6088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2678   -4.0442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4681   -2.4134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8617   -4.8488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -4.0334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 23  1  1  1  0  0  0
  1 69  1  0  0  0  0
  2 28  2  0  0  0  0
 22  3  1  6  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
 24  4  1  1  0  0  0
  4 28  1  0  0  0  0
  4 68  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 35  1  6  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 36  1  1  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 20  1  1  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 37  1  6  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
  9 21  1  1  0  0  0
 10 16  1  0  0  0  0
 10 22  1  0  0  0  0
 10 38  1  6  0  0  0
 11 17  1  0  0  0  0
 11 19  1  0  0  0  0
 11 39  1  6  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 16  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 17  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 23  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 24  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 20 58  1  0  0  0  0
 21 59  1  0  0  0  0
 21 60  1  0  0  0  0
 21 61  1  0  0  0  0
 22 25  1  0  0  0  0
 22 62  1  0  0  0  0
 23 24  1  0  0  0  0
 23 63  1  0  0  0  0
 24 64  1  0  0  0  0
 25 65  1  0  0  0  0
 25 66  1  0  0  0  0
 25 67  1  0  0  0  0
 26 70  1  0  0  0  0
 26 71  1  0  0  0  0
 26 72  1  0  0  0  0
 27 73  1  0  0  0  0
 27 74  1  0  0  0  0
 27 75  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 76  1  0  0  0  0
 31 33  2  0  0  0  0
 31 77  1  0  0  0  0
 32 34  2  0  0  0  0
 32 78  1  0  0  0  0
 33 34  1  0  0  0  0
 33 79  1  0  0  0  0
 34 80  1  0  0  0  0
M  END

$$$$