REMARK  Name = BDB018558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.129   0.363  -2.093  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -0.331   0.531  -1.974  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -1.032   0.723  -3.110  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.441   0.781  -4.360  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -1.292   1.002  -5.520  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        0.928   0.650  -4.538  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        1.513   0.708  -5.616  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.716   0.418  -3.303  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        3.722  -0.366   1.153  0.00  0.00    +0.215 A 
ATOM     10  N   LIG    1        3.764   0.847   0.561  0.00  0.00    -0.221 NA
ATOM     11  C   LIG    1        2.922   1.040  -0.481  0.00  0.00    +0.123 A 
ATOM     12  C   LIG    1        2.033   0.080  -0.963  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.023  -1.163  -0.325  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        2.879  -1.390   0.750  0.00  0.00    +0.068 A 
BRANCH   9  15
ATOM     15  O   LIG    1        4.548  -0.643   2.223  0.00  0.00    -0.477 OA
BRANCH  15  17
ATOM     16  C   LIG    1        6.236   0.020   3.769  0.00  0.00    +0.048 C 
ATOM     17  C   LIG    1        5.386   0.454   2.588  0.00  0.00    +0.227 C 
ENDBRANCH  15  17
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -1.004   0.491  -0.706  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -2.155  -0.213  -0.424  0.00  0.00    +0.123 A 
ATOM     20  N   LIG    1       -2.489   0.041   0.888  0.00  0.00    -0.238 N 
ATOM     21  N   LIG    1       -1.545   0.825   1.477  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1       -0.679   1.117   0.506  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.608  -0.410   1.657  0.00  0.00    +0.085 A 
ATOM     24  C   LIG    1       -4.785  -0.948   1.104  0.00  0.00    +0.112 A 
ATOM     25  C   LIG    1       -5.799  -1.388   1.967  0.00  0.00    +0.143 A 
ATOM     26  F   LIG    1       -6.931  -1.905   1.466  0.00  0.00    -0.204 F 
ATOM     27  C   LIG    1       -5.683  -1.293   3.350  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1       -4.538  -0.737   3.902  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.512  -0.295   3.064  0.00  0.00    +0.029 A 
BRANCH  24  30
ATOM     30  C   LIG    1       -5.076  -1.011  -0.295  0.00  0.00    +0.104 C 
ATOM     31  N   LIG    1       -5.297  -1.050  -1.434  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  20  23
ENDBRANCH   2  18
TORSDOF 6