REMARK  Name = BDB030192
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.569   0.296  -0.011  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1        4.223   1.472   0.419  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        3.523   2.693   0.311  0.00  0.00    +0.098 A 
ATOM      4 CL   LIG    1        4.296   4.182   0.755  0.00  0.00    -0.079 Cl
ATOM      5  C   LIG    1        2.192   2.733  -0.115  0.00  0.00    +0.156 A 
ATOM      6  F   LIG    1        1.553   3.915  -0.166  0.00  0.00    -0.203 F 
ATOM      7  C   LIG    1        1.527   1.565  -0.476  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.223   0.351  -0.422  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        6.693  -3.464  -0.833  0.00  0.00    +0.150 C 
ATOM     10  N   LIG    1        5.575  -2.658  -0.415  0.00  0.00    -0.339 N 
ATOM     11  C   LIG    1        5.431  -1.312  -0.593  0.00  0.00    +0.115 A 
ATOM     12  C   LIG    1        4.208  -1.008  -0.034  0.00  0.00    +0.091 A 
ATOM     13  N   LIG    1        3.608  -2.144   0.458  0.00  0.00    -0.236 NA
ATOM     14  C   LIG    1        4.459  -3.118   0.221  0.00  0.00    +0.199 A 
ENDBRANCH   1  12
BRANCH   7  15
ATOM     15  C   LIG    1        0.112   1.551  -0.932  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1       -0.568   2.751  -0.959  0.00  0.00    -0.228 N 
ATOM     17  H   LIG    1       -0.213   3.611  -0.535  0.00  0.00    +0.171 HD
ATOM     18  O   LIG    1       -0.432   0.497  -1.256  0.00  0.00    -0.269 OA
BRANCH  16  19
ATOM     19  N   LIG    1       -2.045   2.711  -1.246  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -2.341   1.917  -1.824  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.077   3.045   0.059  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -4.399   3.277  -0.478  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -2.405   4.048   0.862  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.066   1.506   0.984  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.167   0.505   0.611  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1       -4.198  -0.622   1.661  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.251  -1.679   1.342  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -5.060  -2.254  -0.056  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -5.040  -1.153  -1.108  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -3.991  -0.086  -0.796  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH   7  15
BRANCH   2  31
ATOM     31  N   LIG    1        5.593   1.474   0.776  0.00  0.00    -0.356 N 
ATOM     32  H   LIG    1        5.889   0.610   1.226  0.00  0.00    +0.142 HD
ATOM     33  H   LIG    1        5.862   2.299   1.309  0.00  0.00    +0.142 HD
ENDBRANCH   2  31
TORSDOF 7