REMARK  Name = BDB007565
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.897  -1.043  -1.590  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.529  -0.006  -1.437  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        1.140   1.210  -1.965  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        1.844   1.933  -2.032  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.803  -0.010  -0.668  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        3.551  -1.190  -0.624  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1        4.744  -1.231   0.097  0.00  0.00    +0.142 A 
ATOM      8  O   LIG    1        5.413  -2.433   0.084  0.00  0.00    -0.489 OA
ATOM      9  C   LIG    1        6.403  -2.517   1.119  0.00  0.00    +0.247 C 
ATOM     10  C   LIG    1        7.258  -1.254   1.181  0.00  0.00    +0.142 C 
ATOM     11  N   LIG    1        6.417  -0.107   1.521  0.00  0.00    -0.338 N 
ATOM     12  H   LIG    1        6.906   0.784   1.495  0.00  0.00    +0.146 HD
ATOM     13  C   LIG    1        5.232  -0.084   0.754  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        4.448   1.075   0.747  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        3.244   1.118   0.036  0.00  0.00    +0.015 A 
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  C   LIG    1        0.003   1.315  -2.862  0.00  0.00    +0.137 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.367   0.914  -2.275  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -2.362   1.185  -3.280  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -2.542   2.140  -3.271  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -1.684   1.690  -0.968  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.842   1.269  -0.158  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -2.611  -0.038   0.487  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -3.787  -0.508   1.321  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.078   0.006   1.101  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -6.155  -0.466   1.863  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -5.957  -1.461   2.820  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.684  -1.987   3.026  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.286   1.105   0.090  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -3.604  -1.516   2.279  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -4.112   1.238  -0.891  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 6