REMARK  Name = BDB062306
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.611   4.565  -2.558  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.776   3.214  -2.041  0.00  0.00    -0.308 N 
ATOM      3  C   LIG    1        0.161   2.688  -1.107  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        0.005   1.377  -0.628  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.986   0.853   0.244  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.083   1.604   0.680  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.201   2.912   0.213  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.159   0.555  -1.058  0.00  0.00    +0.085 A 
ATOM      9  N   LIG    1       -1.260  -0.724  -0.503  0.00  0.00    -0.332 N 
ATOM     10  H   LIG    1       -1.155  -0.713   0.511  0.00  0.00    +0.147 HD
ATOM     11  C   LIG    1       -2.213  -1.756  -0.949  0.00  0.00    +0.146 C 
ATOM     12  C   LIG    1       -3.686  -1.348  -0.733  0.00  0.00    +0.300 C 
ATOM     13  C   LIG    1       -4.021   0.022  -1.320  0.00  0.00    +0.306 C 
ATOM     14  O   LIG    1       -3.157   0.400  -2.399  0.00  0.00    -0.479 OA
ATOM     15  F   LIG    1       -4.506  -2.277  -1.302  0.00  0.00    -0.200 F 
ATOM     16  F   LIG    1       -3.997  -1.328   0.594  0.00  0.00    -0.200 F 
ATOM     17  C   LIG    1       -2.025   1.081  -1.952  0.00  0.00    +0.207 A 
ATOM     18  C   LIG    1        1.258   3.447  -0.668  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1       -1.843   2.462  -2.511  0.00  0.00    +0.295 A 
ATOM     20  O   LIG    1       -2.655   2.887  -3.336  0.00  0.00    -0.264 OA
ENDROOT
BRANCH  11  21
ATOM     21  C   LIG    1       -1.763  -3.053  -0.303  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -1.841  -3.286   1.190  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -2.696  -4.101   0.259  0.00  0.00    +0.006 C 
ENDBRANCH  11  21
BRANCH   6  24
ATOM     24  N   LIG    1        3.093   1.081   1.510  0.00  0.00    -0.313 N 
ATOM     25  H   LIG    1        3.559   1.796   2.065  0.00  0.00    +0.152 HD
BRANCH  24  26
ATOM     26  C   LIG    1        3.532  -0.245   1.732  0.00  0.00    +0.053 A 
ATOM     27  C   LIG    1        4.064  -0.639   2.974  0.00  0.00    +0.110 A 
ATOM     28  C   LIG    1        4.429  -1.969   3.138  0.00  0.00    +0.148 A 
ATOM     29 CL   LIG    1        5.091  -2.591   4.603  0.00  0.00    -0.061 Cl
ATOM     30  N   LIG    1        4.306  -2.919   2.184  0.00  0.00    -0.242 NA
ATOM     31  C   LIG    1        3.797  -2.524   1.003  0.00  0.00    +0.114 A 
ATOM     32  C   LIG    1        3.400  -1.224   0.738  0.00  0.00    +0.044 A 
BRANCH  27  33
ATOM     33  C   LIG    1        4.221   0.299   4.039  0.00  0.00    +0.104 C 
ATOM     34  N   LIG    1        4.343   1.108   4.862  0.00  0.00    -0.191 NA
ENDBRANCH  27  33
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 4