REMARK  Name = BDB018910
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.132   2.135   1.687  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -4.561   1.258   0.694  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -4.500   1.645  -0.234  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -3.492   0.462   1.036  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.004  -0.325   0.002  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -1.866  -1.193   0.280  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -0.699  -0.967  -0.653  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -0.794  -0.889  -2.048  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1        0.359  -0.664  -2.810  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.613  -0.540  -2.209  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        1.746  -0.628  -0.822  0.00  0.00    -0.014 A 
ATOM     12  O   LIG    1       -1.923  -0.974  -2.815  0.00  0.00    -0.490 OA
ATOM     13  C   LIG    1       -3.091  -1.526  -2.220  0.00  0.00    +0.248 C 
ATOM     14  C   LIG    1        0.582  -0.849  -0.065  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -3.740  -0.547  -1.245  0.00  0.00    +0.150 C 
ATOM     16  O   LIG    1       -3.034   0.448   2.175  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        3.059  -0.500  -0.179  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        3.300   0.536   0.763  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        4.559   0.632   1.365  0.00  0.00    +0.047 A 
ATOM     20  N   LIG    1        4.523   1.706   2.227  0.00  0.00    -0.361 N 
ATOM     21  H   LIG    1        5.299   2.007   2.800  0.00  0.00    +0.165 HD
ATOM     22  C   LIG    1        3.295   2.306   2.187  0.00  0.00    +0.083 A 
ATOM     23  C   LIG    1        5.610  -0.248   1.081  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1        5.368  -1.257   0.149  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1        2.519   1.611   1.290  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        4.125  -1.374  -0.463  0.00  0.00    +0.132 A 
ATOM     27  F   LIG    1        3.954  -2.369  -1.349  0.00  0.00    -0.205 F 
ENDBRANCH  11  17
TORSDOF 1