REMARK  Name = BDB030153
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.831  -0.841  -0.250  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.813  -0.774  -1.184  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.008  -0.501  -2.152  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.597  -0.814   0.958  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        5.606  -1.099  -0.199  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        4.265  -1.004   0.202  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        3.228  -0.937  -0.746  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        3.545  -0.964  -2.104  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        2.573  -0.895  -3.028  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        4.874  -1.061  -2.513  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        5.267  -1.099  -4.190  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        5.898  -1.129  -1.570  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        8.317  -1.178   3.962  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        7.890  -1.206   2.587  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        6.604  -1.091   2.136  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        6.697  -1.171   0.761  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        8.013  -1.331   0.385  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        8.703  -1.349   1.502  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -0.549  -0.313  -0.647  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.522  -0.284   0.386  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.025   1.222  -1.232  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -0.421   1.369  -2.542  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -0.762   2.171  -0.174  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.788   0.992  -1.436  0.00  0.00    +0.191 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.536   0.611  -0.149  0.00  0.00    +0.026 C 
ATOM     26  C   LIG    1       -4.939   0.061  -0.491  0.00  0.00    +0.089 C 
ATOM     27  N   LIG    1       -5.852   1.173  -0.747  0.00  0.00    -0.294 NA
ATOM     28  C   LIG    1       -6.114   1.964   0.467  0.00  0.00    +0.085 C 
ATOM     29  C   LIG    1       -4.983   1.891   1.502  0.00  0.00    +0.016 C 
ATOM     30  C   LIG    1       -3.619   1.806   0.828  0.00  0.00    +0.007 C 
BRANCH  27  31
ATOM     31  C   LIG    1       -7.106   0.755  -1.427  0.00  0.00    +0.198 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -7.974  -0.386  -0.853  0.00  0.00    +0.402 C 
ATOM     33  F   LIG    1       -8.394  -0.125   0.404  0.00  0.00    -0.169 F 
ATOM     34  F   LIG    1       -9.076  -0.567  -1.618  0.00  0.00    -0.169 F 
ATOM     35  F   LIG    1       -7.303  -1.560  -0.831  0.00  0.00    -0.169 F 
ENDBRANCH  31  32
ENDBRANCH  27  31
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 8