REMARK  Name = BDB029956
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.551  -0.213   0.395  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.242  -0.050  -0.019  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.019   0.522  -0.839  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.823  -0.584   1.536  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        5.034   0.180  -1.035  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.966  -0.080  -0.163  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        2.633   0.084  -0.581  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.375   0.513  -1.882  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        1.111   0.682  -2.302  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.428   0.771  -2.758  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        3.112   1.297  -4.368  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        4.748   0.606  -2.340  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        9.197  -0.647   1.545  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        8.250  -0.343   0.503  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        6.888  -0.323   0.624  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        6.421   0.018  -0.628  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        7.478   0.202  -1.494  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        8.561  -0.022  -0.785  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -0.809  -0.020   1.099  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.369  -0.287   1.996  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.567   1.497   1.279  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.550   2.147  -0.015  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -0.965   2.111   2.442  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.239   1.019   1.700  0.00  0.00    +0.191 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.095   0.563   0.514  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1       -5.570   0.491   0.935  0.00  0.00    +0.114 C 
ATOM     27  N   LIG    1       -6.451   0.113  -0.170  0.00  0.00    -0.286 N 
ATOM     28  C   LIG    1       -7.765   0.506  -0.281  0.00  0.00    +0.300 C 
ATOM     29  O   LIG    1       -8.458   0.360  -1.281  0.00  0.00    -0.253 OA
ATOM     30  N   LIG    1       -8.300   1.090   0.821  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1       -9.291   1.264   0.706  0.00  0.00    +0.146 HD
ATOM     32  H   LIG    1       -8.069   0.657   1.702  0.00  0.00    +0.146 HD
ATOM     33  C   LIG    1       -5.852  -0.602  -1.294  0.00  0.00    +0.109 C 
ATOM     34  C   LIG    1       -4.740  -1.529  -0.825  0.00  0.00    +0.019 C 
ATOM     35  C   LIG    1       -3.634  -0.780  -0.078  0.00  0.00    +0.008 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6