REMARK  Name = BDB063844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.109  -1.683  -1.363  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1        0.884  -1.243  -1.678  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1        0.157  -1.742  -2.875  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1        0.495  -2.582  -3.686  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1       -0.991  -1.022  -2.836  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1       -1.722  -1.114  -3.516  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -0.962  -0.205  -1.758  0.00  0.00    +0.188 C 
ATOM      8  N   LIG    1        0.111  -0.300  -1.034  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1        5.385   0.094   4.226  0.00  0.00    +0.149 C 
ATOM     10  N   LIG    1        5.562  -0.234   2.829  0.00  0.00    -0.350 N 
ATOM     11  C   LIG    1        4.543  -0.565   1.958  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        5.136  -0.810   0.718  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        4.316  -1.169  -0.373  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        2.922  -1.264  -0.210  0.00  0.00    -0.022 A 
ATOM     15  C   LIG    1        2.365  -1.025   1.050  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        6.536  -0.613   0.870  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        3.158  -0.668   2.151  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        6.769  -0.253   2.178  0.00  0.00    +0.086 A 
ENDBRANCH   1  14
BRANCH   7  19
ATOM     19  N   LIG    1       -1.975   0.643  -1.458  0.00  0.00    -0.314 N 
ATOM     20  H   LIG    1       -1.849   1.092  -0.557  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.307   0.665  -2.021  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1       -4.177  -0.488  -1.509  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1       -4.458  -0.549  -0.011  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -5.133   0.691   0.568  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -4.167   1.853   0.751  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -3.939   2.714  -0.487  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -3.963   2.041  -1.861  0.00  0.00    +0.022 C 
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 3