REMARK  Name = BDB030175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.497   0.310   0.450  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -0.646  -0.451   1.117  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        0.763   0.549  -0.071  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        0.913   1.177  -1.117  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.934   0.011   0.670  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        1.803  -0.767   1.820  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        0.585  -1.064   2.303  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        2.935  -1.248   2.477  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        2.772  -2.206   3.901  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        4.213  -0.960   1.994  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        4.371  -0.183   0.841  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        3.222   0.298   0.188  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        5.684   0.142   0.305  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        5.866   1.031  -0.731  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        7.162   1.068  -0.945  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        7.826   0.239  -0.091  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        9.252   0.038  -0.060  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        6.900  -0.362   0.717  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -1.669   0.562  -0.515  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -1.322   1.045  -1.361  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.469  -0.869  -1.011  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1       -2.238  -1.869   0.013  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -2.123  -1.100  -2.395  0.00  0.00    -0.152 OA
BRANCH  21  27
ATOM     24  C   LIG    1       -6.851   0.392  -0.764  0.00  0.00    +0.161 A 
ATOM     25  C   LIG    1       -6.132   0.507  -1.962  0.00  0.00    +0.160 A 
ATOM     26  C   LIG    1       -4.798   0.133  -2.057  0.00  0.00    +0.077 A 
ATOM     27  C   LIG    1       -4.162  -0.359  -0.918  0.00  0.00    +0.110 A 
ATOM     28  C   LIG    1       -4.860  -0.495   0.288  0.00  0.00    +0.032 A 
ATOM     29  C   LIG    1       -6.206  -0.115   0.365  0.00  0.00    +0.051 A 
BRANCH  24  31
ATOM     30  C   LIG    1       -8.923   0.698   0.362  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -8.158   0.802  -0.833  0.00  0.00    -0.491 OA
ENDBRANCH  24  31
BRANCH  25  32
ATOM     32  O   LIG    1       -6.743   0.997  -3.084  0.00  0.00    -0.503 OA
ATOM     33  H   LIG    1       -7.661   1.191  -2.812  0.00  0.00    +0.292 HD
ENDBRANCH  25  32
ENDBRANCH  21  27
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7