REMARK  Name = BDB014504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.358  -1.595   0.791  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.361  -0.477   1.176  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.007   0.103   1.925  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.171  -2.159  -0.284  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        1.393  -2.035   1.831  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        1.843  -3.365   1.587  0.00  0.00    -0.481 OA
BRANCH   6  15
ATOM      7  C   LIG    1        5.697  -1.899   0.924  0.00  0.00    +0.215 A 
ATOM      8  N   LIG    1        4.437  -2.334   1.121  0.00  0.00    -0.209 NA
ATOM      9  C   LIG    1        4.194  -3.173   2.153  0.00  0.00    +0.116 A 
ATOM     10  C   LIG    1        5.224  -3.581   3.027  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        4.957  -4.459   4.093  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        3.672  -4.954   4.300  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        2.648  -4.574   3.441  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1        6.518  -3.095   2.802  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        2.911  -3.676   2.401  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1        6.760  -2.239   1.735  0.00  0.00    +0.068 A 
BRANCH   7  18
ATOM     17  C   LIG    1        4.850  -0.822  -0.972  0.00  0.00    +0.279 C 
ATOM     18  O   LIG    1        5.979  -1.055  -0.133  0.00  0.00    -0.480 OA
ENDBRANCH   7  18
ENDBRANCH   6  15
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1       -1.249   0.201   0.245  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.188   1.155   0.989  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.391   2.147   1.664  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -1.286   2.863   1.002  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -3.216   1.869   0.084  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -2.579   2.923  -0.738  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -2.329   2.474  -2.129  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -3.547   2.437  -3.029  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -4.692   3.197  -2.732  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -5.791   3.169  -3.601  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -5.750   2.404  -4.766  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.610   1.664  -5.072  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.763   3.992  -1.453  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -3.512   1.684  -4.211  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -3.388   4.158  -0.788  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 9