REMARK  Name = BDB030103
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.515  -0.261   0.402  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.512   0.660   0.514  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.390   1.631   0.216  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.291  -1.469   0.439  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.288  -0.243   0.023  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.957  -0.666   0.187  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -1.898   0.256   0.228  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -2.181   1.614   0.102  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -1.189   2.519   0.129  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -3.497   2.047  -0.060  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -3.847   3.727  -0.212  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -4.547   1.128  -0.099  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -8.665  -2.554  -0.409  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -7.273  -2.249  -0.201  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1       -6.686  -1.017  -0.286  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1       -5.352  -1.234  -0.010  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1       -5.133  -2.571   0.237  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1       -6.303  -3.153   0.115  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        1.930   0.096   0.356  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1        1.903  -0.936   0.394  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.700   0.558  -1.098  0.00  0.00    +0.076 S 
ATOM     22  O   LIG    1        2.602  -0.548  -2.023  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        2.264   1.897  -1.430  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.370   0.710  -0.789  0.00  0.00    +0.144 A 
ATOM     25  C   LIG    1        5.030   0.742   0.419  0.00  0.00    +0.137 A 
ATOM     26  N   LIG    1        6.351   0.890   0.107  0.00  0.00    -0.267 N 
ATOM     27  N   LIG    1        6.585   0.946  -1.220  0.00  0.00    -0.178 NA
ATOM     28  C   LIG    1        5.367   0.841  -1.764  0.00  0.00    +0.163 A 
BRANCH  26  29
ATOM     29  C   LIG    1        7.461   0.992   1.038  0.00  0.00    +0.171 C 
BRANCH  29  30
ATOM     30  C   LIG    1        8.371  -0.228   0.983  0.00  0.00    +0.179 C 
BRANCH  30  31
ATOM     31  O   LIG    1        7.726  -1.376   1.530  0.00  0.00    -0.393 OA
ATOM     32  H   LIG    1        7.175  -1.756   0.821  0.00  0.00    +0.209 HD
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 8