REMARK  Name = BDB002651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.816   1.887  -0.223  0.00  0.00    +0.076 C 
ATOM      2  C   LIG    1        1.441   1.576  -1.675  0.00  0.00    +0.041 C 
ATOM      3  C   LIG    1        0.588   0.318  -1.787  0.00  0.00    +0.111 C 
ATOM      4  N   LIG    1       -0.576   0.367  -0.906  0.00  0.00    -0.285 N 
ATOM      5  C   LIG    1       -1.685  -0.417  -1.279  0.00  0.00    +0.314 C 
ATOM      6  N   LIG    1       -2.774  -0.366  -0.397  0.00  0.00    -0.222 N 
ATOM      7  C   LIG    1       -3.262  -1.582   0.208  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -4.296  -1.610   1.157  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1       -4.720  -2.830   1.721  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -4.121  -4.034   1.367  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.079  -4.027   0.456  0.00  0.00    +0.002 A 
ATOM     12  S   LIG    1       -5.091  -0.163   1.794  0.00  0.00    -0.086 S 
ATOM     13  C   LIG    1       -4.582   1.051   0.616  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1       -5.278   2.275   0.660  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -4.965   3.316  -0.208  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -3.951   3.141  -1.135  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -3.254   1.930  -1.181  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -2.653  -2.818  -0.105  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1       -3.541   0.858  -0.302  0.00  0.00    +0.057 A 
ATOM     20  O   LIG    1       -1.686  -1.089  -2.312  0.00  0.00    -0.252 OA
ATOM     21  C   LIG    1       -0.294   0.670   0.498  0.00  0.00    +0.111 C 
ATOM     22  C   LIG    1        0.564   1.921   0.656  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   1  25
ATOM     23  O   LIG    1        4.605   1.998  -0.650  0.00  0.00    -0.270 OA
ATOM     24  C   LIG    1        4.147   1.057  -0.009  0.00  0.00    +0.247 C 
ATOM     25  N   LIG    1        2.805   0.946   0.294  0.00  0.00    -0.308 N 
ATOM     26  H   LIG    1        2.483   0.089   0.729  0.00  0.00    +0.149 HD
BRANCH  24  27
ATOM     27  C   LIG    1        5.051  -0.027   0.469  0.00  0.00    +0.072 A 
ATOM     28  C   LIG    1        4.592  -1.169   1.130  0.00  0.00    +0.135 A 
ATOM     29  F   LIG    1        3.284  -1.353   1.369  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        5.477  -2.158   1.557  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        6.844  -2.014   1.325  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        7.321  -0.882   0.665  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        6.429   0.106   0.238  0.00  0.00    +0.016 A 
ENDBRANCH  24  27
ENDBRANCH   1  25
TORSDOF 2