REMARK  Name = BDB030092
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.656   0.840   0.076  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.858   0.288   1.062  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.007  -0.670   1.390  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.293   1.827  -0.562  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        5.083   0.244  -1.435  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.825   0.797  -1.135  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        2.970   0.199  -0.195  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        3.382  -0.968   0.446  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        2.585  -1.567   1.346  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        4.626  -1.527   0.156  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        5.138  -2.970   0.948  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        5.474  -0.929  -0.778  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        8.802   1.452  -4.502  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        7.569   1.433  -3.759  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        7.179   0.489  -2.849  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        5.936   0.902  -2.413  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        5.580   2.074  -3.043  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        6.579   2.366  -3.845  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -0.601   0.760   1.078  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.723   1.533   0.403  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.723  -0.482   0.723  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.154  -1.717   1.224  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -2.091  -0.318  -0.665  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.087   0.018   1.770  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.221  -1.021   1.820  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1       -5.232  -0.656   2.932  0.00  0.00    +0.023 C 
ATOM     27  C   LIG    1       -6.452   0.079   2.373  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -7.228  -0.814   1.394  0.00  0.00    +0.018 C 
ATOM     29  C   LIG    1       -6.320  -1.737   0.577  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1       -4.905  -1.188   0.448  0.00  0.00    +0.005 C 
BRANCH  27  31
ATOM     31  N   LIG    1       -7.319   0.530   3.459  0.00  0.00    -0.327 NA
ATOM     32  H   LIG    1       -8.149   0.978   3.071  0.00  0.00    +0.118 HD
ATOM     33  H   LIG    1       -7.659  -0.273   3.989  0.00  0.00    +0.118 HD
ENDBRANCH  27  31
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 7