REMARK  Name = BDB013945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.576  -0.833  -0.847  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.716  -0.768   0.435  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.157  -0.245   1.465  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.583  -1.282   0.345  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.020  -2.167  -0.695  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.150  -3.128  -1.258  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -0.604  -3.959  -2.297  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.913  -3.866  -2.762  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.786  -2.953  -2.185  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        1.238  -3.352  -0.711  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.346  -2.117  -1.155  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.193  -2.214  -1.035  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        2.366   1.488  -1.144  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.621   0.183  -0.770  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.303   0.113  -0.017  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        1.373   1.815  -1.790  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        3.407   2.503  -0.603  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        3.518   3.690  -1.558  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.624   2.592   0.425  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        4.702   1.810  -0.386  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.123   1.615  -1.295  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.523  -0.928   1.417  0.00  0.00    +0.152 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.338   0.339   1.192  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -3.554   0.514   1.891  0.00  0.00    +0.125 A 
ATOM     25  C   LIG    1       -4.299   1.686   1.713  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1       -3.843   2.694   0.862  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1       -2.637   2.536   0.190  0.00  0.00    +0.018 A 
ATOM     28 BR   LIG    1       -2.012   3.911  -0.947  0.00  0.00    -0.050 Br
ATOM     29  C   LIG    1       -1.885   1.374   0.352  0.00  0.00    +0.024 A 
BRANCH  24  30
ATOM     30  O   LIG    1       -3.921  -0.518   2.715  0.00  0.00    -0.495 OA
ATOM     31  C   LIG    1       -5.105  -0.355   3.487  0.00  0.00    +0.277 C 
ENDBRANCH  24  30
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6