B4GAR1
  -OEChem-04012112362D

 45 46  0     1  0  0  0  0  0999 V2000
    6.3745   -2.7694    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5134   -0.3049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166   -2.0649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7867   -1.9604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9623   -3.5784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1835   -2.1816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4364    1.2829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5655   -3.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044    4.2829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044    1.2829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5704    2.7829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2044   -1.2559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2044   -1.2559    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8954   -0.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044    0.2829    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7922   -2.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5704    1.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8384    1.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8384    2.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044    3.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9568   -3.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0790   -1.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5446   -4.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8880   -0.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5920   -1.1589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8168   -1.1589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5854    0.2321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3290   -0.5570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2568    0.5644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2349   -2.3367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9631   -2.6609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3014    1.4729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1074    3.0929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3014    3.0929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5140   -3.2021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7859   -2.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8072   -0.6299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4830   -1.3580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0430   -4.6474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9090   -4.7845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0462   -3.9185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2524   -1.1009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3896   -0.2349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5236   -0.0977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  2  0  0  0  0
  2 13  1  0  0  0  0
  2 15  1  0  0  0  0
 12  3  1  1  0  0  0
  3 32  1  0  0  0  0
  4 16  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 17  2  0  0  0  0
  9 20  2  0  0  0  0
 15 10  1  6  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 17  1  0  0  0  0
 11 20  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 25  1  0  0  0  0
 13 16  1  6  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 21 23  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 24  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
M  END

$$$$