REMARK  Name = BDB063155
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.024   0.227   2.482  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1       -0.711   1.474   2.155  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1       -1.993   1.287   1.314  0.00  0.00    +0.125 C 
ATOM      4  N   LIG    1       -3.084   0.469   1.903  0.00  0.00    -0.311 N 
ATOM      5  C   LIG    1       -2.900   0.060   3.304  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1       -1.869  -1.052   3.477  0.00  0.00    +0.038 C 
ATOM      7  C   LIG    1       -0.732  -1.038   2.458  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        4.635  -1.014  -1.756  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        4.666  -0.207  -0.621  0.00  0.00    +0.055 A 
ATOM     10  C   LIG    1        3.521  -0.071   0.191  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        2.330  -0.746  -0.132  0.00  0.00    +0.073 A 
ATOM     12  N   LIG    1        1.217  -0.643   0.615  0.00  0.00    -0.231 NA
ATOM     13  C   LIG    1        1.218   0.133   1.726  0.00  0.00    +0.140 A 
ATOM     14  C   LIG    1        2.364   0.836   2.115  0.00  0.00    +0.092 A 
ATOM     15  C   LIG    1        2.317  -1.539  -1.268  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        3.521   0.730   1.337  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        3.450  -1.674  -2.076  0.00  0.00    +0.048 A 
BRANCH  14  18
ATOM     18  C   LIG    1        2.387   1.649   3.293  0.00  0.00    +0.103 C 
ATOM     19  N   LIG    1        2.442   2.341   4.224  0.00  0.00    -0.191 NA
ENDBRANCH  14  18
BRANCH   8  20
ATOM     20  O   LIG    1        5.659  -1.230  -2.631  0.00  0.00    -0.492 OA
BRANCH  20  22
ATOM     21  C   LIG    1        7.138   0.676  -2.867  0.00  0.00    +0.048 C 
ATOM     22  C   LIG    1        6.957  -0.728  -2.318  0.00  0.00    +0.225 C 
ENDBRANCH  20  22
ENDBRANCH   8  20
ENDBRANCH   1  13
BRANCH   4  23
ATOM     23  C   LIG    1       -4.104  -0.079   1.080  0.00  0.00    +0.137 C 
ATOM     24  S   LIG    1       -5.096  -1.354   1.550  0.00  0.00    -0.018 S 
BRANCH  23  25
ATOM     25  N   LIG    1       -4.214   0.596  -0.129  0.00  0.00    -0.295 N 
ATOM     26  H   LIG    1       -4.049   1.594  -0.054  0.00  0.00    +0.154 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -4.798   0.226  -1.363  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1       -5.131   1.263  -2.244  0.00  0.00    +0.144 A 
ATOM     29  F   LIG    1       -4.915   2.537  -1.876  0.00  0.00    -0.204 F 
ATOM     30  C   LIG    1       -5.686   1.012  -3.496  0.00  0.00    +0.040 A 
ATOM     31  C   LIG    1       -5.902  -0.303  -3.896  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -5.548  -1.351  -3.046  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -4.990  -1.089  -1.788  0.00  0.00    +0.026 A 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH   4  23
TORSDOF 7