REMARK  Name = BDB017651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.632   1.108  -0.735  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.745   0.636  -0.302  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1       -1.774   0.476  -1.240  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -3.042   0.055  -0.830  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -3.326  -0.194   0.521  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -4.694  -0.625   0.893  0.00  0.00    +0.045 A 
ATOM      7  N   LIG    1       -4.999  -0.820   2.237  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -4.601  -0.108   2.844  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -6.298  -1.324   2.663  0.00  0.00    +0.102 C 
ATOM     10  C   LIG    1       -7.388  -0.839   1.716  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -7.037  -1.177   0.263  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -5.617  -0.807  -0.071  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1       -5.294  -0.583  -1.506  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -6.120  -0.773  -2.394  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -2.290  -0.039   1.452  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -4.035  -0.140  -1.794  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -3.832   0.011  -2.772  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -1.016   0.378   1.047  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  21
ATOM     19  C   LIG    1        2.030   2.312  -3.169  0.00  0.00    +0.026 C 
ATOM     20  C   LIG    1        2.361   0.981  -2.486  0.00  0.00    +0.071 C 
ATOM     21  N   LIG    1        1.174   0.331  -1.870  0.00  0.00    -0.293 NA
ATOM     22  C   LIG    1        1.577  -1.031  -1.421  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1        3.079  -1.243  -1.078  0.00  0.00    +0.120 C 
ATOM     24  N   LIG    1        3.685   0.004  -0.574  0.00  0.00    -0.325 N 
ATOM     25  C   LIG    1        3.583   1.136  -1.527  0.00  0.00    +0.123 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.732  -0.034   0.349  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1        5.785   0.908   0.393  0.00  0.00    +0.146 A 
ATOM     28  F   LIG    1        5.856   1.909  -0.499  0.00  0.00    -0.204 F 
ATOM     29  C   LIG    1        6.811   0.859   1.342  0.00  0.00    +0.059 A 
ATOM     30  C   LIG    1        6.815  -0.139   2.310  0.00  0.00    +0.055 A 
ATOM     31  C   LIG    1        5.782  -1.073   2.323  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1        4.759  -1.011   1.363  0.00  0.00    +0.027 A 
BRANCH  30  33
ATOM     33  C   LIG    1        7.860  -0.198   3.288  0.00  0.00    +0.099 C 
ATOM     34  N   LIG    1        8.706  -0.246   4.081  0.00  0.00    -0.191 NA
ENDBRANCH  30  33
ENDBRANCH  24  26
ENDBRANCH   1  21
TORSDOF 4