REMARK  Name = BDB009096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.505   2.019  -0.519  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.551   1.389  -1.198  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.817   1.989  -1.295  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -3.018   3.253  -0.726  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.975   3.897  -0.064  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.726   3.284   0.038  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.178   0.176  -0.700  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        0.781   1.460  -0.369  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        1.455   2.036   0.117  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        0.461  -0.733  -1.101  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1        5.361  -0.714  -0.046  0.00  0.00    -0.042 A 
ATOM     12  C   LIG    1        4.959   0.556  -0.494  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        3.608   0.859  -0.713  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        2.625  -0.106  -0.479  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        3.003  -1.380  -0.055  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        4.352  -1.676   0.163  0.00  0.00    +0.005 A 
BRANCH  11  18
ATOM     17  C   LIG    1        7.024  -1.513   1.673  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1        6.836  -1.079   0.203  0.00  0.00    -0.013 C 
ATOM     19  C   LIG    1        7.820   0.084  -0.058  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1        7.246  -2.242  -0.726  0.00  0.00    +0.015 C 
ENDBRANCH  11  18
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -3.941   1.286  -2.020  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.141   0.995  -1.123  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -5.087  -0.143  -0.151  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -3.885  -1.043  -0.073  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -4.145  -2.336   0.706  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.918  -2.056   1.989  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -6.261  -1.391   1.684  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -6.164  -0.318   0.634  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -7.341   0.576   0.495  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -8.346   0.436   1.185  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -7.239   1.556  -0.454  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -8.034   2.177  -0.565  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -6.166   1.786  -1.254  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 5