REMARK  Name = BDB030208
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.778  -1.060  -0.749  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.422  -0.724  -1.350  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.585   0.224  -1.703  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.878  -2.052  -0.028  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.327   0.265  -0.569  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -3.172  -0.517  -0.383  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -1.950  -0.180  -0.993  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -1.885   0.956  -1.796  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -0.730   1.306  -2.385  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -3.019   1.743  -1.993  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -2.944   3.146  -2.989  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -4.229   1.402  -1.387  0.00  0.00    +0.031 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -8.292   1.525   2.248  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -7.532   0.499   1.461  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1       -6.320   0.837   0.839  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -5.601  -0.099   0.074  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1       -6.136  -1.390  -0.061  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -7.349  -1.732   0.541  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -8.046  -0.790   1.294  0.00  0.00    +0.003 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  N   LIG    1        1.665  -1.429  -0.792  0.00  0.00    -0.112 NA
ATOM     21  H   LIG    1        1.377  -2.182  -0.145  0.00  0.00    +0.171 HD
BRANCH  20  22
ATOM     22  S   LIG    1        2.734  -0.370   0.026  0.00  0.00    +0.045 S 
ATOM     23  O   LIG    1        2.605   0.923  -0.613  0.00  0.00    -0.157 OA
ATOM     24  O   LIG    1        2.494  -0.555   1.439  0.00  0.00    -0.157 OA
BRANCH  22  25
ATOM     25  C   LIG    1        4.302  -1.111  -0.409  0.00  0.00    +0.191 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.485  -0.504   0.357  0.00  0.00    +0.025 C 
ATOM     27  C   LIG    1        6.721  -1.400   0.171  0.00  0.00    +0.086 C 
ATOM     28  N   LIG    1        7.899  -0.871   0.857  0.00  0.00    -0.316 NA
ATOM     29  H   LIG    1        7.710  -0.818   1.859  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1        8.239   0.466   0.368  0.00  0.00    +0.081 C 
ATOM     31  C   LIG    1        7.083   1.442   0.565  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1        5.804   0.930  -0.094  0.00  0.00    +0.007 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6