REMARK  Name = BDB063370
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.363  -0.552   0.152  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.024  -0.049  -0.165  0.00  0.00    +0.227 C 
ATOM      3  O   LIG    1       -0.142   1.005  -0.788  0.00  0.00    -0.284 OA
ATOM      4  C   LIG    1       -1.192  -0.841   0.277  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1       -1.015  -2.020   0.958  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1       -2.153  -2.723   1.342  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -3.413  -2.207   1.026  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -3.525  -1.000   0.340  0.00  0.00    +0.122 A 
ATOM      9  C   LIG    1        0.325  -2.525   1.263  0.00  0.00    +0.208 C 
ATOM     10  O   LIG    1        0.443  -3.595   1.848  0.00  0.00    -0.286 OA
ATOM     11  N   LIG    1       -2.414  -0.334  -0.036  0.00  0.00    -0.228 NA
ATOM     12  C   LIG    1        1.490  -1.703   0.836  0.00  0.00    +0.113 C 
ATOM     13 CL   LIG    1        3.038  -2.310   1.333  0.00  0.00    -0.078 Cl
ENDROOT
BRANCH   8  14
ATOM     14  N   LIG    1       -4.739  -0.470  -0.015  0.00  0.00    -0.309 N 
ATOM     15  C   LIG    1       -4.793   0.920  -0.514  0.00  0.00    +0.181 C 
ATOM     16  C   LIG    1       -6.221   1.380  -0.209  0.00  0.00    +0.266 C 
ATOM     17  F   LIG    1       -6.267   2.071   0.957  0.00  0.00    -0.204 F 
ATOM     18  F   LIG    1       -6.733   2.170  -1.172  0.00  0.00    -0.204 F 
ATOM     19  C   LIG    1       -7.011   0.098  -0.069  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1       -6.006  -0.823   0.613  0.00  0.00    +0.112 C 
ENDBRANCH   8  14
BRANCH   1  21
ATOM     21  N   LIG    1        2.393   0.306  -0.290  0.00  0.00    -0.337 N 
ATOM     22  H   LIG    1        1.932   1.161  -0.662  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.385  -0.123  -1.295  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.408   0.990  -1.571  0.00  0.00    +0.214 C 
ATOM     25  F   LIG    1        3.711   2.071  -2.041  0.00  0.00    -0.241 F 
BRANCH  24  27
ATOM     26  C   LIG    1        6.142   0.287   0.159  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        5.261   1.430  -0.352  0.00  0.00    +0.093 C 
ATOM     28  C   LIG    1        6.144   2.620  -0.740  0.00  0.00    +0.044 C 
BRANCH  27  29
ATOM     29  O   LIG    1        4.451   1.863   0.750  0.00  0.00    -0.386 OA
ATOM     30  H   LIG    1        3.640   1.313   0.755  0.00  0.00    +0.210 HD
ENDBRANCH  27  29
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 6