B8BX3W
  -OEChem-04022101362D

 53 56  0     0  0  0  0  0  0999 V2000
   10.5309   -3.3340    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792    3.7864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3969   -2.8340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6648   -3.8340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473    0.9349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473   -0.6746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5309    0.1301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.3699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0309   -4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2579    1.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5309    0.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5901    2.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0309   -0.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9007    3.5802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6116    2.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0309   -0.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5309   -1.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2329    4.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9437    3.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0309   -2.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5309   -1.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0309   -2.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2544    4.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1899    4.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8048    1.5934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6405    2.3733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.7501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8409    0.6671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4190    1.8341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3409   -0.1990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9109   -1.6019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4255    4.9138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3370    3.0399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1509   -1.6019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7209   -3.0049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    4.5798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    4.5443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3825    5.3263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6006    4.9296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.2501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6509   -4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7209   -4.7369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1 10  1  0  0  0  0
  1 27  1  0  0  0  0
  2 21  1  0  0  0  0
  2 32  1  0  0  0  0
  3 30  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8 20  1  0  0  0  0
  8 36  1  0  0  0  0
  9 30  1  0  0  0  0
  9 50  1  0  0  0  0
  9 51  1  0  0  0  0
 10 52  1  0  0  0  0
 10 53  1  0  0  0  0
 11 14  2  0  0  0  0
 11 16  1  0  0  0  0
 12 15  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 14 17  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  2  0  0  0  0
 16 19  2  0  0  0  0
 16 35  1  0  0  0  0
 17 18  2  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 38  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 22 39  1  0  0  0  0
 23 28  1  0  0  0  0
 23 40  1  0  0  0  0
 24 29  2  0  0  0  0
 24 41  1  0  0  0  0
 25 31  1  0  0  0  0
 25 42  1  0  0  0  0
 26 31  2  0  0  0  0
 26 43  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 44  1  0  0  0  0
 29 45  1  0  0  0  0
 31 46  1  0  0  0  0
 32 47  1  0  0  0  0
 32 48  1  0  0  0  0
 32 49  1  0  0  0  0
M  END

$$$$