REMARK  Name = BDB022952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.852  -1.882   2.476  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -1.023  -2.409   1.047  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -1.417  -1.328   0.126  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -2.774  -1.169  -0.152  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -3.597  -2.006   0.226  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -0.372  -0.348  -0.213  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.030  -0.906  -0.295  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        1.304  -2.204   0.089  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        2.619  -2.589  -0.031  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        3.598  -1.774  -0.463  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.245  -0.530  -0.806  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        1.993  -0.061  -0.729  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        0.229  -3.141   0.534  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -3.225   0.046  -0.984  0.00  0.00    +0.089 C 
ATOM     15  C   LIG    1       -4.653  -0.191  -1.531  0.00  0.00    +0.119 C 
ATOM     16  C   LIG    1       -5.759   0.124  -0.506  0.00  0.00    +0.097 C 
ATOM     17  N   LIG    1       -5.299   0.847   0.689  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -6.436   1.318   1.478  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -4.406   1.939   0.331  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -3.090   1.361  -0.189  0.00  0.00    +0.028 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.875   0.580  -2.818  0.00  0.00    +0.395 C 
ATOM     22  F   LIG    1       -6.097   0.327  -3.337  0.00  0.00    -0.170 F 
ATOM     23  F   LIG    1       -4.771   1.914  -2.647  0.00  0.00    -0.170 F 
ATOM     24  F   LIG    1       -3.965   0.224  -3.754  0.00  0.00    -0.170 F 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  25
ATOM     25  N   LIG    1        4.188   0.372  -1.266  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1        3.772   1.294  -1.192  0.00  0.00    +0.149 HD
BRANCH  25  27
ATOM     27  C   LIG    1        5.552   0.228  -0.765  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1        6.495   1.073  -1.637  0.00  0.00    +0.050 C 
ATOM     29  C   LIG    1        6.766   2.421  -0.991  0.00  0.00    +0.161 C 
ATOM     30  O   LIG    1        7.386   2.305   0.290  0.00  0.00    -0.380 OA
ATOM     31  C   LIG    1        7.033   1.140   1.035  0.00  0.00    +0.161 C 
ATOM     32  C   LIG    1        5.636   0.638   0.712  0.00  0.00    +0.050 C 
ENDBRANCH  25  27
ENDBRANCH  11  25
TORSDOF 4