REMARK  Name = BDB062943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.509   0.360   0.887  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1        0.018   1.290  -0.016  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        0.505   2.568   0.511  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        0.708   3.444  -0.726  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1       -0.353   2.925  -1.685  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.382   1.427  -1.410  0.00  0.00    +0.108 C 
ATOM      7  O   LIG    1       -0.406   0.585   2.102  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -1.210  -0.962   0.328  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1       -0.425  -1.800  -0.751  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1        0.246  -2.568   0.399  0.00  0.00    +0.003 C 
ATOM     11  C   LIG    1       -0.984  -2.235   1.253  0.00  0.00    +0.021 C 
BRANCH   8  15
ATOM     12  C   LIG    1       -5.551  -0.051  -0.256  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -4.784  -0.501  -1.330  0.00  0.00    +0.019 A 
ATOM     14  C   LIG    1       -3.424  -0.786  -1.153  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -2.779  -0.631   0.091  0.00  0.00    -0.032 A 
ATOM     16  C   LIG    1       -3.592  -0.181   1.156  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1       -4.952   0.108   0.991  0.00  0.00    +0.019 A 
BRANCH  12  19
ATOM     18  N   LIG    1       -8.068   0.481  -0.589  0.00  0.00    -0.191 NA
ATOM     19  C   LIG    1       -6.942   0.243  -0.435  0.00  0.00    +0.099 C 
ENDBRANCH  12  19
ENDBRANCH   8  15
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1        1.726   2.634   1.450  0.00  0.00    +0.239 C 
ATOM     21  N   LIG    1        2.662   1.663   1.587  0.00  0.00    -0.269 N 
ATOM     22  H   LIG    1        3.172   1.742   2.458  0.00  0.00    +0.156 HD
ATOM     23  O   LIG    1        1.891   3.663   2.125  0.00  0.00    -0.273 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.087   0.573   0.837  0.00  0.00    +0.126 A 
ATOM     25  N   LIG    1        3.787  -0.321   1.563  0.00  0.00    -0.229 NA
ATOM     26  C   LIG    1        4.262  -1.389   0.883  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1        4.097  -1.558  -0.481  0.00  0.00    +0.084 A 
ATOM     28  N   LIG    1        4.722  -2.739  -0.775  0.00  0.00    -0.275 N 
ATOM     29  H   LIG    1        4.814  -3.185  -1.681  0.00  0.00    +0.189 HD
ATOM     30  N   LIG    1        5.269  -3.353   0.292  0.00  0.00    -0.180 NA
ATOM     31  C   LIG    1        3.425  -0.615  -1.249  0.00  0.00    +0.032 A 
ATOM     32  C   LIG    1        4.988  -2.520   1.303  0.00  0.00    +0.162 A 
ATOM     33  C   LIG    1        2.923   0.480  -0.540  0.00  0.00    +0.046 A 
ENDBRANCH  21  24
ENDBRANCH   3  20
TORSDOF 5