REMARK  Name = BDB018199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.315   1.039  -1.206  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        1.510   0.669  -0.112  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        0.113   0.646  -0.267  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.503   0.977  -1.475  0.00  0.00    +0.080 A 
ATOM      5  N   LIG    1       -1.885   0.908  -1.473  0.00  0.00    -0.225 NA
ATOM      6  C   LIG    1       -2.301   0.538  -0.295  0.00  0.00    +0.166 A 
ATOM      7  C   LIG    1        0.305   1.345  -2.566  0.00  0.00    +0.029 A 
ATOM      8  S   LIG    1       -1.106   0.243   0.885  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1        1.699   1.372  -2.420  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        5.898  -0.035  -0.573  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        4.501  -0.070  -0.694  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1        3.781   1.076  -1.075  0.00  0.00    -0.017 A 
ATOM     13  C   LIG    1        4.497   2.256  -1.339  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        5.889   2.292  -1.234  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        6.589   1.148  -0.857  0.00  0.00    +0.013 A 
BRANCH  10  19
ATOM     16  C   LIG    1        6.756  -3.290   1.152  0.00  0.00    +0.128 C 
ATOM     17  N   LIG    1        6.040  -2.156   0.623  0.00  0.00    -0.314 N 
ATOM     18  H   LIG    1        5.191  -1.877   1.094  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        6.685  -1.236  -0.180  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        7.852  -1.353  -0.537  0.00  0.00    -0.270 OA
ENDBRANCH  10  19
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  N   LIG    1       -3.579   0.344   0.157  0.00  0.00    -0.262 N 
ATOM     22  H   LIG    1       -3.660   0.056   1.121  0.00  0.00    +0.157 HD
ATOM     23  C   LIG    1       -4.688   0.536  -0.649  0.00  0.00    +0.257 C 
ATOM     24  O   LIG    1       -4.658   0.897  -1.823  0.00  0.00    -0.272 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -6.030   0.270   0.044  0.00  0.00    +0.204 C 
ATOM     26  C   LIG    1       -6.247   1.206   1.241  0.00  0.00    +0.166 C 
ATOM     27  N   LIG    1       -6.803   0.345   2.340  0.00  0.00    -0.266 N 
ATOM     28  C   LIG    1       -7.173  -0.956   1.725  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1       -6.148  -1.135   0.620  0.00  0.00    +0.071 C 
ATOM     30  F   LIG    1       -7.094   0.436  -0.807  0.00  0.00    -0.230 F 
BRANCH  27  31
ATOM     31  C   LIG    1       -7.425   0.850   3.416  0.00  0.00    +0.169 C 
ATOM     32  N   LIG    1       -7.955   1.288   4.346  0.00  0.00    -0.174 NA
ENDBRANCH  27  31
ENDBRANCH  23  25
ENDBRANCH   6  21
TORSDOF 5