REMARK  Name = BDB012909
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.054  -0.659  -0.604  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1       -0.333   0.574  -0.036  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        1.052   0.154   0.156  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1        2.054   1.114   0.215  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        1.789   2.313   0.177  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.213  -1.253  -0.183  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1       -0.196  -1.820  -0.109  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        3.413   0.651   0.313  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1        3.878  -0.266   1.211  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1        3.354  -0.743   1.935  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1        5.187  -0.539   1.092  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1        5.608   0.310   0.144  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1        4.538   1.087  -0.359  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1        7.051   0.368  -0.268  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1        7.957   0.787   0.892  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1        7.523  -0.958  -0.869  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     17  C   LIG    1       -3.406   0.039  -0.760  0.00  0.00    +0.264 C 
ATOM     18  N   LIG    1       -2.438  -0.779  -0.191  0.00  0.00    -0.306 N 
ATOM     19  H   LIG    1       -2.639  -1.168   0.719  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1       -3.137   0.797  -1.689  0.00  0.00    -0.268 OA
BRANCH  17  23
ATOM     21  N   LIG    1       -6.758   0.451   0.339  0.00  0.00    -0.271 N 
ATOM     22  N   LIG    1       -5.690   0.873  -0.355  0.00  0.00    -0.167 NA
ATOM     23  C   LIG    1       -4.746  -0.064  -0.146  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1       -5.254  -1.087   0.709  0.00  0.00    +0.054 A 
ATOM     25  C   LIG    1       -6.545  -0.719   1.004  0.00  0.00    +0.109 A 
BRANCH  21  27
ATOM     26  C   LIG    1       -8.832   0.950  -0.893  0.00  0.00    +0.029 C 
ATOM     27  C   LIG    1       -7.977   1.236   0.328  0.00  0.00    +0.140 C 
ENDBRANCH  21  27
ENDBRANCH  17  23
ENDBRANCH   1  18
TORSDOF 5