REMARK  Name = BDB032214
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.792   0.577   1.337  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -1.172   1.141   0.283  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1        0.056   0.667  -0.025  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1        0.700  -0.353   0.669  0.00  0.00    -0.029 A 
ATOM      5  C   LIG    1        0.027  -0.913   1.756  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.239  -0.444   2.094  0.00  0.00    +0.067 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -3.054   0.986   1.712  0.00  0.00    -0.476 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -3.632   2.051   0.959  0.00  0.00    +0.234 C 
BRANCH   8  13
ATOM      9  C   LIG    1       -6.970  -1.728  -1.238  0.00  0.00    +0.104 C 
ATOM     10  N   LIG    1       -6.216  -1.105  -0.153  0.00  0.00    -0.305 NA
ATOM     11  C   LIG    1       -6.902   0.099   0.334  0.00  0.00    +0.084 C 
ATOM     12  C   LIG    1       -5.957   1.027   1.095  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -4.859   1.574   0.163  0.00  0.00    +0.029 C 
ATOM     14  C   LIG    1       -4.504   0.554  -0.935  0.00  0.00    +0.022 C 
ATOM     15  C   LIG    1       -4.808  -0.883  -0.513  0.00  0.00    +0.084 C 
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  C   LIG    1        2.079  -0.810   0.280  0.00  0.00    +0.041 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.163  -0.059   1.061  0.00  0.00    +0.040 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.556  -0.503   0.656  0.00  0.00    -0.039 A 
ATOM     19  C   LIG    1        5.242   0.037  -0.470  0.00  0.00    -0.010 A 
ATOM     20  C   LIG    1        6.535  -0.448  -0.795  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1        7.194   0.109  -1.921  0.00  0.00    +0.124 A 
ATOM     22  N   LIG    1        6.657   1.069  -2.692  0.00  0.00    -0.240 NA
ATOM     23  C   LIG    1        5.433   1.515  -2.367  0.00  0.00    +0.113 A 
ATOM     24  C   LIG    1        7.104  -1.460   0.012  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        6.425  -1.987   1.107  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.702   1.042  -1.292  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1        5.159  -1.514   1.425  0.00  0.00    +0.004 A 
BRANCH  21  28
ATOM     28  N   LIG    1        8.476  -0.319  -2.305  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1        8.449  -1.313  -2.507  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        9.124  -0.156  -1.541  0.00  0.00    +0.144 HD
ENDBRANCH  21  28
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 7