REMARK  Name = BDB017512
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.504  -0.176   0.029  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.750   0.307  -0.044  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.710  -0.616   0.032  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -3.096  -0.409  -0.015  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -3.748  -1.655   0.113  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -2.730  -2.623   0.224  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -2.916  -4.036   0.383  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.951  -1.858   0.129  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.501  -1.968   0.176  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -0.212  -2.382   0.243  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        0.801  -1.491   0.170  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.719   0.896  -0.139  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -4.608   0.993  -1.379  0.00  0.00    +0.053 C 
ATOM     14  C   LIG    1       -5.186   2.400  -1.513  0.00  0.00    +0.162 C 
ATOM     15  O   LIG    1       -5.277   3.093  -0.266  0.00  0.00    -0.380 OA
ATOM     16  C   LIG    1       -5.649   2.235   0.807  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -4.509   1.275   1.123  0.00  0.00    +0.053 C 
ENDBRANCH   4  12
BRANCH   1  18
ATOM     18  N   LIG    1        1.500   0.795  -0.050  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1        1.065   1.701  -0.144  0.00  0.00    +0.155 HD
BRANCH  18  27
ATOM     20  C   LIG    1        8.313  -1.575   0.302  0.00  0.00    +0.090 C 
ATOM     21  C   LIG    1        7.045  -0.824   0.208  0.00  0.00    +0.149 A 
ATOM     22  N   LIG    1        5.854  -1.428   0.239  0.00  0.00    -0.150 NA
ATOM     23  N   LIG    1        4.992  -0.385   0.128  0.00  0.00    -0.218 N 
ATOM     24  C   LIG    1        5.724   0.793   0.035  0.00  0.00    +0.156 A 
ATOM     25  C   LIG    1        5.000   2.003  -0.089  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1        3.648   1.996  -0.115  0.00  0.00    -0.024 A 
ATOM     27  C   LIG    1        2.875   0.723  -0.015  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1        2.910   3.303  -0.248  0.00  0.00    +0.046 C 
ATOM     29  C   LIG    1        3.604  -0.409   0.102  0.00  0.00    +0.138 A 
ATOM     30  N   LIG    1        7.011   0.537   0.084  0.00  0.00    -0.212 NA
ENDBRANCH  18  27
ENDBRANCH   1  18
TORSDOF 3