REMARK  Name = BDB051969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.685   0.238  -1.271  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        1.611  -0.341  -0.386  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        2.992  -0.368  -0.664  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        3.433   0.213  -1.860  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        2.516   0.796  -2.742  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1        1.147   0.801  -2.459  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        3.939  -0.993   0.270  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        5.061  -0.307   0.755  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        5.949  -0.927   1.642  0.00  0.00    -0.032 A 
ATOM     10  C   LIG    1        7.131  -0.198   2.196  0.00  0.00    +0.045 C 
ATOM     11  C   LIG    1        5.659  -2.227   2.038  0.00  0.00    +0.114 A 
ATOM     12  N   LIG    1        4.591  -2.928   1.600  0.00  0.00    -0.262 NA
ATOM     13  C   LIG    1        3.768  -2.300   0.727  0.00  0.00    +0.119 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     14  C   LIG    1       -1.762   0.704  -1.570  0.00  0.00    +0.250 C 
ATOM     15  N   LIG    1       -0.669   0.212  -0.879  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1       -0.879  -0.273  -0.017  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1       -1.738   1.211  -2.683  0.00  0.00    -0.270 OA
BRANCH  14  26
ATOM     18  C   LIG    1       -7.611  -0.319   0.100  0.00  0.00    +0.113 C 
ATOM     19  C   LIG    1       -6.556  -0.247  -0.951  0.00  0.00    +0.229 C 
ATOM     20  N   LIG    1       -5.238   0.081  -0.551  0.00  0.00    -0.287 N 
ATOM     21  C   LIG    1       -4.689   0.328   0.718  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1       -3.326   0.636   0.538  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -2.549   0.997   1.667  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -3.110   0.999   2.942  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.440   0.656   3.114  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -3.025   0.523  -0.853  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1       -5.242   0.324   2.018  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1       -4.214   0.217  -1.475  0.00  0.00    +0.108 A 
ATOM     29  O   LIG    1       -6.784  -0.461  -2.139  0.00  0.00    -0.273 OA
ENDBRANCH  14  26
ENDBRANCH   1  15
BRANCH   5  30
ATOM     30  C   LIG    1        2.984   1.389  -4.012  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1        2.505   1.120  -5.097  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1        3.986   2.274  -3.822  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        4.152   2.501  -2.888  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH   5  30
TORSDOF 5