PEP01098.sdf
  ChemDraw08282420152D

 95 98  0  0  1  0  0  0  0  0999 V2000
   -5.5961   -2.8836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8200    2.0597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8200   -3.7075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6740    3.7075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7366   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7366    0.8239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4501   -1.2358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4501   -0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1636   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8771   -0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9632   -1.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6298   -0.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1811   -0.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8844    0.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6903    0.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2415    0.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9869   -0.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7691   -1.4026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1042   -2.1553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3096   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5961   -0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5961   -1.2358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0231   -0.4119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1691   -0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4556   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1691   -2.8836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4556    0.8239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8826   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8826   -2.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8826   -1.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1691   -1.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0286    0.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0286   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3151   -0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7421   -0.4119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3151   -1.2358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1120   -1.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1120   -0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8255   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6016   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8255    0.8239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9660   -0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5390   -0.4119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9660   -1.2358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2525   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1065    2.4717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3930    2.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9660    2.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6795    2.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3930    1.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6795    0.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9660    1.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2525    0.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1065   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3930   -0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1065    0.8239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6795   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1065   -2.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3930   -2.8836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8200   -2.8836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1065   -1.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3930   -1.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2470   -0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5335   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9605    3.2955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8200   -0.4119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2470   -1.2358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9605    2.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2470    2.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2470    1.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5335    0.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6740   -0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9605   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875    0.8239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6740   -1.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875   -1.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1010   -1.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8145   -1.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8145   -2.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1010   -2.8836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875   -2.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5280    2.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8145   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5280   -0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5280   -1.2358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1010   -0.4119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5280    1.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2415    0.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8145    0.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3096    0.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0231    1.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0231    2.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7366    2.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2415   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5 23  1  0        0
 18 19  1  0        0
 21 28  1  0        0
 25 35  1  0        0
 34 40  1  0        0
 39 43  1  0        0
 42 57  1  0        0
 54 66  1  0        0
 63 73  1  0        0
 74 87  1  0        0
  6  5  2  0        0
  5  8  1  0        0
  8  7  1  1        0
  8  9  1  0        0
  9 10  1  0        0
 11 10  2  0        0
 12 10  1  0        0
 18 11  1  0        0
 12 13  2  0        0
 12 14  1  0        0
 13 18  1  0        0
 17 13  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 23 20  1  0        0
 20 21  1  0        0
 21 22  2  0        0
 29 26  2  0        0
 30 29  1  0        0
 31 30  1  0        0
 25 24  1  0        0
 24 28  1  0        0
 24 31  1  6        0
 25 27  2  0        0
 29  1  1  0        0
 33 32  1  1        0
 35 33  1  0        0
 33 34  1  0        0
 34 36  2  0        0
 38 37  1  6        0
 40 38  1  0        0
 38 39  1  0        0
 39 41  2  0        0
 47 46  1  0        0
 49 48  2  0        0
 47 49  1  0        0
 50 47  2  0        0
 51 50  1  0        0
 51 52  2  0        0
 48 52  1  0        0
 53 52  1  0        0
 44 42  2  0        0
 42 45  1  0        0
 45 43  1  0        0
 45 53  1  1        0
 46  2  1  0        0
 58 59  2  0        0
 58 60  1  0        0
 61 58  1  0        0
 62 61  1  0        0
 56 54  2  0        0
 54 55  1  0        0
 55 57  1  0        0
 55 62  1  6        0
 60  3  1  0        0
 68 65  1  0        0
 69 68  1  0        0
 70 69  1  0        0
 71 70  1  0        0
 67 63  2  0        0
 63 64  1  0        0
 64 66  1  0        0
 64 71  1  6        0
 65  4  1  0        0
 77 76  1  0        0
 78 77  1  0        0
 79 78  2  0        0
 80 79  1  0        0
 81 80  2  0        0
 82 77  2  0        0
 82 81  1  0        0
 72 76  1  6        0
 72 73  1  0        0
 72 74  1  0        0
 74 75  2  0        0
 88 83  1  0        0
 88 89  1  0        0
 88 90  1  0        0
 84 90  1  1        0
 84 87  1  0        0
 84 85  1  0        0
 85 86  2  0        0
 20 91  1  6        0
 91 92  1  0        0
 92 93  1  0        0
 93 94  1  0        0
 85 95  1  0        0
M  END
$$$$
