REMARK  Name = BDB012215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.114   2.684  -0.528  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.979   1.550  -0.976  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        0.001   0.676  -0.555  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1        0.124  -0.192  -1.061  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.990   1.052   0.447  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1        2.080   1.930  -0.192  0.00  0.00    +0.026 C 
ATOM      7  C   LIG    1        3.399   1.825   0.562  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1        3.963   0.394   0.542  0.00  0.00    +0.174 C 
ATOM      9  C   LIG    1        2.851  -0.669   0.455  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1        1.565  -0.199   1.133  0.00  0.00    +0.026 C 
BRANCH   8  11
ATOM     11  O   LIG    1        4.678   0.149   1.761  0.00  0.00    -0.489 OA
BRANCH  11  12
ATOM     12  C   LIG    1        5.984   0.537   1.864  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1        6.592   0.195   3.070  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1        7.915   0.546   3.271  0.00  0.00    +0.114 A 
ATOM     15  N   LIG    1        8.659   1.207   2.360  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        8.046   1.530   1.203  0.00  0.00    +0.114 A 
ATOM     17  C   LIG    1        6.725   1.221   0.909  0.00  0.00    +0.065 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1       -1.846   0.981  -2.084  0.00  0.00    +0.096 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.151   1.756  -2.284  0.00  0.00    +0.017 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.138   1.593  -1.125  0.00  0.00    +0.075 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.723   0.200  -1.089  0.00  0.00    +0.110 A 
ATOM     22  N   LIG    1       -5.739  -0.046  -1.971  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -6.087   0.679  -2.582  0.00  0.00    +0.170 HD
ATOM     24  C   LIG    1       -6.361  -1.264  -2.081  0.00  0.00    +0.259 A 
ATOM     25  O   LIG    1       -7.269  -1.462  -2.880  0.00  0.00    -0.267 OA
ATOM     26  C   LIG    1       -5.863  -2.315  -1.178  0.00  0.00    +0.065 A 
ATOM     27  C   LIG    1       -4.819  -1.976  -0.313  0.00  0.00    +0.078 A 
ATOM     28  C   LIG    1       -4.329  -2.954   0.555  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -4.873  -4.242   0.556  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -5.915  -4.564  -0.315  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -6.416  -3.599  -1.187  0.00  0.00    +0.015 A 
ATOM     32  N   LIG    1       -4.244  -0.694  -0.286  0.00  0.00    -0.234 NA
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 7