REMARK  Name = BDB029946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.765  -0.239  -0.141  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.170  -1.255  -0.243  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.073  -2.139  -0.700  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.418   0.927   0.041  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.536   0.142  -0.236  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.162   0.415  -0.123  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        2.202  -0.599  -0.272  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.629  -1.899  -0.535  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        1.735  -2.890  -0.688  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.990  -2.183  -0.648  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        4.519  -3.791  -0.970  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        4.941  -1.172  -0.500  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        8.671   2.893  -0.084  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        7.308   2.433  -0.006  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        6.855   1.174  -0.289  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        5.494   1.225  -0.071  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        5.127   2.488   0.335  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        6.236   3.190   0.365  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -1.620  -0.795  -0.454  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -1.660   0.239  -0.434  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.318  -1.356  -1.905  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -2.531  -0.200  -2.744  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.515  -2.479  -2.344  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.895  -1.976  -1.333  0.00  0.00    +0.191 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.874  -0.896  -0.896  0.00  0.00    +0.030 C 
ATOM     26  C   LIG    1       -4.519  -0.205   0.423  0.00  0.00    +0.114 C 
ATOM     27  N   LIG    1       -5.799   0.164   1.004  0.00  0.00    -0.285 N 
ATOM     28  C   LIG    1       -6.018   1.054   2.016  0.00  0.00    +0.300 C 
ATOM     29  O   LIG    1       -7.127   1.433   2.374  0.00  0.00    -0.253 OA
ATOM     30  N   LIG    1       -4.906   1.531   2.626  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1       -4.152   0.878   2.773  0.00  0.00    +0.146 HD
ATOM     32  H   LIG    1       -5.122   2.105   3.431  0.00  0.00    +0.146 HD
ATOM     33  C   LIG    1       -6.907  -0.390   0.252  0.00  0.00    +0.109 C 
ATOM     34  C   LIG    1       -6.266  -1.471  -0.602  0.00  0.00    +0.026 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6