REMARK  Name = BDB030151
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.430  -1.562  -0.436  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        0.791  -2.364   0.088  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        1.251  -0.492  -0.751  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        0.780   0.605  -1.046  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.721  -0.708  -0.711  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        3.293  -1.918  -0.324  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        2.515  -2.952   0.037  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        4.679  -2.067  -0.304  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        5.387  -3.566   0.170  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        5.513  -1.008  -0.669  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        4.962   0.218  -1.060  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        3.563   0.355  -1.077  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        5.794   1.347  -1.450  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        5.274   2.513  -1.965  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        6.305   3.294  -2.193  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        7.473   2.682  -1.846  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        8.786   3.260  -1.966  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        7.169   1.437  -1.369  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -1.034  -1.205  -0.143  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -1.196  -0.212  -0.382  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.488  -1.478   1.481  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -0.677  -2.583   1.953  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.455  -0.195   2.145  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.174  -2.043   1.293  0.00  0.00    +0.192 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -4.440   0.196   1.221  0.00  0.00    +0.123 C 
ATOM     26  C   LIG    1       -4.102  -1.117   0.490  0.00  0.00    +0.040 C 
ATOM     27  C   LIG    1       -5.387  -1.905   0.144  0.00  0.00    +0.008 C 
ATOM     28  C   LIG    1       -6.587  -1.025  -0.210  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -6.161   0.351  -0.690  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1       -5.367   1.098   0.383  0.00  0.00    +0.032 C 
BRANCH  25  32
ATOM     31  C   LIG    1       -4.858   0.820   3.480  0.00  0.00    +0.194 C 
ATOM     32  O   LIG    1       -5.072  -0.150   2.460  0.00  0.00    -0.379 OA
ENDBRANCH  25  32
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7