REMARK  Name = BDB030188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.765  -0.247  -0.502  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.348  -0.895  -1.007  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.324  -1.907  -1.172  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.672   0.844   0.059  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.495  -0.830  -0.232  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.218  -0.258  -0.129  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -2.086  -0.915  -0.643  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -2.241  -2.155  -1.262  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -1.173  -2.804  -1.754  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -3.504  -2.732  -1.371  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -3.698  -4.262  -2.139  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -4.625  -2.076  -0.862  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -7.634   2.319   1.980  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -7.062   1.209   1.263  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1       -5.736   1.016   0.991  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1       -5.682  -0.171   0.290  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1       -6.950  -0.689   0.138  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1       -7.755   0.162   0.732  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        1.703  -0.357  -0.517  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        1.553   0.526   0.001  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.555  -1.457   0.474  0.00  0.00    +0.046 S 
ATOM     22  O   LIG    1        2.536  -0.913   1.812  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        2.013  -2.770   0.183  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.206  -1.358  -0.205  0.00  0.00    +0.206 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.013  -0.172   0.316  0.00  0.00    +0.090 C 
ATOM     26  N   LIG    1        6.431  -0.312  -0.116  0.00  0.00    -0.309 NA
ATOM     27  H   LIG    1        6.473  -0.138  -1.121  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1        7.240   0.735   0.547  0.00  0.00    +0.096 C 
ATOM     29  C   LIG    1        6.513   2.090   0.720  0.00  0.00    +0.096 C 
ATOM     30  N   LIG    1        5.438   2.284  -0.267  0.00  0.00    -0.313 NA
ATOM     31  H   LIG    1        5.859   2.227  -1.194  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1        4.440   1.201  -0.144  0.00  0.00    +0.101 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6