REMARK  Name = BDB030125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.440  -0.303  -1.148  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.374   0.447  -1.617  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.252   1.422  -1.329  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.416  -1.532  -1.179  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.855   0.304   0.383  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.717  -0.322  -0.154  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        2.611   0.425  -0.593  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.653   1.814  -0.490  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        1.610   2.557  -0.896  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.777   2.447   0.039  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        3.832   4.165   0.162  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        4.874   1.701   0.474  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        9.124  -1.298   2.356  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        7.850  -1.216   1.690  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        7.101  -0.087   1.501  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        5.977  -0.512   0.822  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        6.041  -1.870   0.605  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        7.176  -2.264   1.136  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -0.932  -0.330  -1.838  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.747  -1.343  -1.750  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.176   0.114  -0.744  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -2.203  -0.919   0.271  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.956   1.507  -0.422  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.593  -0.070  -1.810  0.00  0.00    +0.192 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.973   0.150  -1.177  0.00  0.00    +0.040 C 
ATOM     26  C   LIG    1       -5.309  -0.768   0.009  0.00  0.00    +0.119 C 
ATOM     27  C   LIG    1       -6.812  -0.700   0.328  0.00  0.00    +0.031 C 
ATOM     28  C   LIG    1       -7.457   0.650  -0.016  0.00  0.00    +0.003 C 
ATOM     29  C   LIG    1       -6.475   1.811   0.075  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -5.257   1.625  -0.839  0.00  0.00    +0.008 C 
BRANCH  26  31
ATOM     31  O   LIG    1       -4.614  -0.353   1.180  0.00  0.00    -0.391 OA
ATOM     32  H   LIG    1       -3.752  -0.820   1.210  0.00  0.00    +0.210 HD
ENDBRANCH  26  31
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 7