REMARK  Name = BDB013936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.894  -0.436  -1.067  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.939   0.206  -0.033  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.396   0.789   0.958  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.434   0.128  -0.300  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.990  -0.683  -1.343  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.494  -1.979  -1.603  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.048  -2.744  -2.643  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.098  -2.246  -3.410  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.607  -0.981  -3.143  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.572  -2.597  -0.736  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.059  -0.208  -2.116  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.937  -1.955  -0.935  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.623   1.283  -1.508  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        3.236   0.113  -0.887  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.689  -0.026   0.014  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        2.989   1.798  -2.425  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.896   1.920  -0.888  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.677   2.669  -1.967  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.730   1.416   0.651  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.700   0.866  -0.219  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        6.132   0.281  -0.936  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.327   0.964   0.517  0.00  0.00    +0.153 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.445   0.211   1.227  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -3.827   0.540   1.054  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1       -4.806  -0.247   1.728  0.00  0.00    -0.015 A 
ATOM     26  C   LIG    1       -6.173   0.026   1.573  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -6.594   1.075   0.770  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -5.676   1.873   0.113  0.00  0.00    +0.039 A 
ATOM     29  F   LIG    1       -7.903   1.323   0.636  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -4.416  -1.306   2.557  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1       -3.073  -1.595   2.754  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -4.311   1.610   0.255  0.00  0.00    +0.012 A 
ATOM     33  C   LIG    1       -2.102  -0.828   2.118  0.00  0.00    +0.125 A 
BRANCH  33  34
ATOM     34  O   LIG    1       -0.788  -1.161   2.329  0.00  0.00    -0.495 OA
ATOM     35  C   LIG    1       -0.313  -0.586   3.548  0.00  0.00    +0.277 C 
ENDBRANCH  33  34
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6