REMARK  Name = BDB002085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.457  -0.860  -0.093  0.00  0.00    +0.120 A 
ATOM      2  C   LIG    1       -4.567  -0.614  -1.145  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -3.245  -0.231  -0.887  0.00  0.00    -0.033 A 
ATOM      4  C   LIG    1       -2.255  -0.046  -2.038  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1       -1.042   0.880  -1.741  0.00  0.00    +0.046 C 
ATOM      6  C   LIG    1       -0.589   0.736  -0.336  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -1.442   0.292   0.637  0.00  0.00    +0.171 A 
ATOM      8  O   LIG    1       -0.828   0.271   1.837  0.00  0.00    -0.354 OA
ATOM      9  N   LIG    1        0.483   0.712   1.669  0.00  0.00    -0.073 NA
ATOM     10  C   LIG    1        0.618   0.998   0.353  0.00  0.00    +0.171 A 
ATOM     11  C   LIG    1       -2.813  -0.117   0.455  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -3.696  -0.366   1.504  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -5.018  -0.735   1.228  0.00  0.00    +0.046 A 
ENDROOT
BRANCH  10  14
ATOM     14  C   LIG    1        1.877   1.510  -0.193  0.00  0.00    +0.266 C 
ATOM     15  N   LIG    1        2.875   1.657   0.745  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1        2.675   1.302   1.675  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        2.024   1.775  -1.383  0.00  0.00    -0.268 OA
BRANCH  15  18
ATOM     18  C   LIG    1        4.229   1.996   0.392  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.074   0.755   0.253  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        5.793   0.252   1.349  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        6.554  -0.911   1.219  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        6.591  -1.574  -0.002  0.00  0.00    +0.123 A 
ATOM     23  F   LIG    1        7.322  -2.690  -0.124  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        5.879  -1.099  -1.096  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1        5.117   0.064  -0.969  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  10  14
BRANCH   1  27
ATOM     26  C   LIG    1       -7.664  -1.483   0.537  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -6.717  -1.218  -0.489  0.00  0.00    -0.495 OA
ENDBRANCH   1  27
TORSDOF 4