REMARK  Name = BDB008624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.057  -0.923   0.059  0.00  0.00    -0.345 N 
ATOM      2  C   LIG    1        2.149  -2.148  -0.558  0.00  0.00    +0.068 A 
ATOM      3  C   LIG    1        0.873  -2.715  -0.519  0.00  0.00    +0.094 A 
ATOM      4  N   LIG    1        0.600  -3.937  -1.042  0.00  0.00    -0.253 NA
ATOM      5  C   LIG    1        1.648  -4.573  -1.601  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1        2.941  -4.081  -1.679  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -0.007  -1.802   0.133  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1        3.221  -2.829  -1.144  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        0.773  -0.709   0.488  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -1.480  -1.953   0.433  0.00  0.00    +0.107 C 
ATOM     11  C   LIG    1       -2.104  -3.326   0.191  0.00  0.00    +0.033 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -2.271  -0.868  -0.195  0.00  0.00    -0.289 N 
ATOM     13  C   LIG    1       -3.296  -0.311   0.577  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1       -3.624  -0.793   1.670  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -3.961   1.015   0.133  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -4.434   1.081  -1.211  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1       -4.368   2.394  -1.781  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -4.622   3.496  -0.745  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1       -3.596   3.523   0.312  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -4.032   3.843   1.178  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -3.017   2.179   0.517  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1       -1.981  -0.451  -1.553  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -2.900  -0.845  -2.687  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -1.501  -1.359  -2.661  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH  10  12
ENDBRANCH   7  10
BRANCH   1  25
ATOM     25  C   LIG    1        3.143   0.031   0.231  0.00  0.00    +0.122 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.913  -0.205   1.527  0.00  0.00    +0.024 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.144   0.696   1.673  0.00  0.00    +0.030 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.853   2.193   1.599  0.00  0.00    +0.159 C 
BRANCH  28  30
ATOM     29  C   LIG    1        3.511   3.908   2.500  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        3.807   2.517   2.509  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 9