BW13OR
  -OEChem-04022100462D

 83 86  0     1  0  0  0  0  0999 V2000
    2.0000   -2.0275    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3608   -0.6601    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3674   -2.3882    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1263   -6.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263   -5.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1263   -5.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.7243   -2.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3583   -3.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3583   -1.6340    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2602    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3942   -1.5000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.3942    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6146   -2.5933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4237   -3.9945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9455   -3.3364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4455   -4.2024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2602   -0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2602   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3942   -2.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5282   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1263    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2602   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6342   -1.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3942    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6342    0.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1263    3.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9923    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7282   -1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2602    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1263    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7282    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9923    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1263   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2602   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9923    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9923   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1263   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9923    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9923   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8583    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1263   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8583   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8583    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9510   -3.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2602    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4723   -1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8708   -0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3942   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5248    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7277    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6414   -2.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6414    1.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1263    2.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6823   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3023    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0482    3.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6497    2.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9142    5.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5157    4.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1924    0.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5938    2.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3908    2.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1263   -1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7233   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2044    4.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6029    5.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7802    6.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3817    5.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1683    2.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3953    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5483    4.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1683    5.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3953    6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5483    7.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0158   -2.6153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3344   -3.1671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862   -3.8485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 39  1  0  0  0  0
  2 39  1  0  0  0  0
  3 39  1  0  0  0  0
  4 45  1  0  0  0  0
  5 45  1  0  0  0  0
  6 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8 46  1  0  0  0  0
  9 46  1  0  0  0  0
 10 26  1  0  0  0  0
 10 32  1  0  0  0  0
 11 26  2  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 18  1  0  0  0  0
 13 22  1  0  0  0  0
 13 26  1  0  0  0  0
 14 16  1  0  0  0  0
 14 30  2  0  0  0  0
 15 17  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 48  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 18 49  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 22  2  0  0  0  0
 20 25  1  0  0  0  0
 21 24  1  0  0  0  0
 21 30  1  0  0  0  0
 21 52  1  0  0  0  0
 22 27  1  0  0  0  0
 23 29  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
 24 36  2  0  0  0  0
 24 37  1  0  0  0  0
 25 31  2  0  0  0  0
 25 55  1  0  0  0  0
 27 34  2  0  0  0  0
 27 56  1  0  0  0  0
 28 32  1  0  0  0  0
 28 33  1  0  0  0  0
 28 35  1  0  0  0  0
 28 57  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 31 34  1  0  0  0  0
 31 39  1  0  0  0  0
 32 61  1  0  0  0  0
 32 62  1  0  0  0  0
 33 38  1  0  0  0  0
 33 63  1  0  0  0  0
 33 64  1  0  0  0  0
 34 65  1  0  0  0  0
 35 44  1  0  0  0  0
 35 66  1  0  0  0  0
 35 67  1  0  0  0  0
 36 40  1  0  0  0  0
 36 68  1  0  0  0  0
 37 41  2  0  0  0  0
 37 69  1  0  0  0  0
 38 42  1  0  0  0  0
 38 70  1  0  0  0  0
 38 71  1  0  0  0  0
 40 43  2  0  0  0  0
 40 46  1  0  0  0  0
 41 43  1  0  0  0  0
 41 45  1  0  0  0  0
 42 47  1  0  0  0  0
 42 72  1  0  0  0  0
 42 73  1  0  0  0  0
 43 74  1  0  0  0  0
 44 75  1  0  0  0  0
 44 76  1  0  0  0  0
 44 77  1  0  0  0  0
 47 78  1  0  0  0  0
 47 79  1  0  0  0  0
 47 80  1  0  0  0  0
 48 81  1  0  0  0  0
 48 82  1  0  0  0  0
 48 83  1  0  0  0  0
M  END

$$$$