REMARK  Name = BDB023021
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.683  -0.112  -0.149  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        2.052  -0.821   0.917  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.688  -0.969   0.857  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.350  -1.722   1.943  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.424  -1.977   2.658  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.093  -0.448  -0.176  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.480   0.170  -1.173  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.499  -1.406   2.012  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.854   0.316  -1.130  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        7.562  -0.851   0.060  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1        6.261  -0.250  -0.107  0.00  0.00    -0.273 N 
ATOM     12  N   LIG    1        6.169   1.051  -0.431  0.00  0.00    -0.167 NA
ATOM     13  C   LIG    1        4.841   1.300  -0.463  0.00  0.00    +0.173 A 
ATOM     14  C   LIG    1        4.102   0.105  -0.205  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        5.054  -0.863   0.031  0.00  0.00    +0.117 A 
BRANCH  13  16
ATOM     16  C   LIG    1        4.290   2.674  -0.732  0.00  0.00    +0.437 C 
ATOM     17  F   LIG    1        5.199   3.672  -0.574  0.00  0.00    -0.164 F 
ATOM     18  F   LIG    1        3.812   2.781  -2.003  0.00  0.00    -0.164 F 
ATOM     19  F   LIG    1        3.246   2.973   0.091  0.00  0.00    -0.164 F 
ENDBRANCH  13  16
ENDBRANCH   1  14
BRANCH   6  20
ATOM     20  N   LIG    1       -1.461  -0.601  -0.173  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.797  -0.387  -1.111  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.257   0.168   0.780  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.692  -0.249   0.679  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.577   0.312  -0.236  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.386   1.421  -1.203  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -5.664   1.259  -2.026  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -6.649   0.560  -1.232  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -5.901  -0.106  -0.297  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.404  -1.089   0.531  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -5.530  -1.680   1.443  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -4.194  -1.263   1.506  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -3.382  -1.850   2.397  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5