REMARK  Name = BDB063885
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.972  -4.286  -0.043  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.682  -3.113   0.078  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.573  -1.921   0.072  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.898  -2.030  -0.087  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.817  -0.786   0.274  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.403  -1.220   0.381  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.542  -2.559   0.264  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.380  -3.100   0.372  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.875  -0.929  -0.092  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.148  -1.172   0.451  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.106  -0.142   0.425  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.834   1.107  -0.135  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.875   2.021  -0.089  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.913   1.469   0.497  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.561   1.333  -0.691  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.724  -0.149   1.021  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.599   0.314  -0.668  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.457  -0.394   0.604  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -1.157   0.579   0.557  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.812  -0.616   0.086  0.00  0.00    +0.101 C 
ATOM     21  C   LIG    1       -3.824   0.146   0.975  0.00  0.00    +0.135 C 
ATOM     22  C   LIG    1       -3.747   1.671   0.931  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -3.694   2.309  -0.454  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -4.576   1.648  -1.511  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -4.210   0.212  -1.916  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -2.858  -0.291  -1.416  0.00  0.00    +0.025 C 
BRANCH  21  27
ATOM     27  O   LIG    1       -3.641  -0.265   2.340  0.00  0.00    -0.390 OA
ATOM     28  H   LIG    1       -2.675  -0.282   2.489  0.00  0.00    +0.210 HD
ENDBRANCH  21  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4