REMARK  Name = BDB061737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.204   0.089  -0.111  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1       -0.736   1.068  -0.463  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.113   0.823  -0.376  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.585  -0.417   0.046  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1       -1.655  -1.415   0.354  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.280  -1.166   0.265  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -3.951  -0.750   0.153  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1       -4.151  -1.678   0.491  0.00  0.00    +0.156 HD
ATOM      9  C   LIG    1       -5.039   0.106   0.046  0.00  0.00    +0.308 C 
ATOM     10  N   LIG    1       -6.221  -0.622   0.088  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1       -6.129  -1.613  -0.070  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1       -4.968   1.322  -0.069  0.00  0.00    -0.252 OA
BRANCH  10  13
ATOM     13  C   LIG    1       -7.539  -0.118   0.119  0.00  0.00    +0.036 A 
ATOM     14  C   LIG    1       -8.582  -1.043  -0.021  0.00  0.00    +0.043 A 
ATOM     15  C   LIG    1       -9.911  -0.616   0.009  0.00  0.00    +0.043 A 
ATOM     16 CL   LIG    1      -11.179  -1.767  -0.169  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1      -10.220   0.729   0.184  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -9.188   1.653   0.332  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -7.855   1.231   0.302  0.00  0.00    +0.023 A 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  N   LIG    1        1.578   0.366  -0.280  0.00  0.00    -0.299 N 
ATOM     21  H   LIG    1        1.743   1.364  -0.359  0.00  0.00    +0.154 HD
BRANCH  20  31
ATOM     22  C   LIG    1        6.643   0.344  -1.019  0.00  0.00    +0.158 A 
ATOM     23  C   LIG    1        5.587   0.922  -1.720  0.00  0.00    +0.166 A 
ATOM     24  F   LIG    1        5.823   1.651  -2.821  0.00  0.00    -0.202 F 
ATOM     25  C   LIG    1        4.272   0.755  -1.305  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        3.983  -0.004  -0.148  0.00  0.00    +0.043 A 
ATOM     27  C   LIG    1        5.039  -0.595   0.562  0.00  0.00    +0.080 A 
ATOM     28  N   LIG    1        4.843  -1.337   1.654  0.00  0.00    -0.235 NA
ATOM     29  C   LIG    1        3.577  -1.506   2.048  0.00  0.00    +0.223 A 
ATOM     30  N   LIG    1        2.492  -0.997   1.458  0.00  0.00    -0.220 NA
ATOM     31  C   LIG    1        2.692  -0.235   0.368  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        6.347  -0.408   0.120  0.00  0.00    +0.077 A 
BRANCH  22  33
ATOM     33  O   LIG    1        7.889   0.588  -1.522  0.00  0.00    -0.489 OA
BRANCH  33  35
ATOM     34  C   LIG    1        9.611   0.711   0.181  0.00  0.00    +0.048 C 
ATOM     35  C   LIG    1        9.013  -0.090  -0.962  0.00  0.00    +0.226 C 
ENDBRANCH  33  35
ENDBRANCH  22  33
ENDBRANCH  20  31
ENDBRANCH   1  20
TORSDOF 6