REMARK  Name = BDB027739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.622   0.804   0.264  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.269   2.112   0.646  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -1.102   2.373   0.713  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -1.461   3.664   1.070  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -0.606   4.680   1.363  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.704   4.391   1.308  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -2.034   1.448   0.452  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1       -1.592   0.217   0.160  0.00  0.00    +0.164 A 
ATOM      9  C   LIG    1        1.187   3.143   0.960  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -0.303  -0.135   0.046  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -2.598  -0.797  -0.137  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1       -2.762  -1.952   0.636  0.00  0.00    +0.070 A 
ATOM     13 CL   LIG    1       -1.843  -2.275   2.061  0.00  0.00    -0.081 Cl
ATOM     14  C   LIG    1       -3.743  -2.864   0.263  0.00  0.00    +0.131 A 
ATOM     15  N   LIG    1       -4.563  -2.711  -0.805  0.00  0.00    -0.262 NA
ATOM     16  C   LIG    1       -4.399  -1.588  -1.531  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1       -3.451  -0.620  -1.240  0.00  0.00    +0.033 A 
ENDBRANCH   8  11
BRANCH   1  18
ATOM     18  N   LIG    1        1.980   0.472   0.129  0.00  0.00    -0.315 N 
ATOM     19  H   LIG    1        2.400   1.164  -0.493  0.00  0.00    +0.148 HD
BRANCH  18  21
ATOM     20  C   LIG    1        1.958  -1.978   0.712  0.00  0.00    +0.040 C 
ATOM     21  C   LIG    1        2.398  -0.907  -0.298  0.00  0.00    +0.123 C 
ATOM     22  C   LIG    1        3.948  -0.860  -0.259  0.00  0.00    +0.040 C 
BRANCH  21  23
ATOM     23  C   LIG    1        1.988  -1.301  -1.749  0.00  0.00    +0.410 C 
ATOM     24  F   LIG    1        0.670  -1.523  -1.922  0.00  0.00    -0.168 F 
ATOM     25  F   LIG    1        2.628  -2.430  -2.144  0.00  0.00    -0.168 F 
ATOM     26  F   LIG    1        2.350  -0.321  -2.619  0.00  0.00    -0.168 F 
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4