REMARK  Name = BDB014627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.517   3.317   1.521  0.00  0.00    +0.214 C 
ATOM      2  N   LIG    1        0.188   3.610   1.726  0.00  0.00    -0.313 N 
ATOM      3  H   LIG    1       -0.228   3.390   2.623  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        2.077   3.438   0.436  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.236   2.862   2.774  0.00  0.00    +0.103 C 
BRANCH   5   6
ATOM      6  C   LIG    1        3.354   1.878   2.442  0.00  0.00    +0.083 C 
BRANCH   6  16
ATOM      7  C   LIG    1        4.170   0.554  -0.206  0.00  0.00    +0.150 C 
ATOM      8  N   LIG    1        3.188   0.019   0.708  0.00  0.00    -0.331 N 
ATOM      9  C   LIG    1        2.461  -1.135   0.532  0.00  0.00    +0.069 A 
ATOM     10  C   LIG    1        1.645  -1.197   1.657  0.00  0.00    +0.089 A 
ATOM     11  C   LIG    1        0.743  -2.262   1.802  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        0.681  -3.236   0.799  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        1.510  -3.158  -0.321  0.00  0.00    +0.002 A 
ATOM     14  N   LIG    1        1.866  -0.128   2.487  0.00  0.00    -0.232 NA
ATOM     15  C   LIG    1        2.423  -2.107  -0.477  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        2.803   0.594   1.901  0.00  0.00    +0.111 A 
ENDBRANCH   6  16
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  17
ATOM     17  C   LIG    1       -0.694   3.994   0.639  0.00  0.00    +0.136 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.954   2.892  -0.402  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -1.986   3.337  -1.296  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -2.349   2.510  -1.679  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -1.405   1.562   0.241  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -1.893   0.582  -0.766  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -2.539  -0.543  -0.049  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -2.889  -1.725  -0.927  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -2.258  -1.915  -2.167  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -2.571  -3.038  -2.945  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.487  -3.982  -2.482  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.100  -3.808  -1.244  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -1.295  -0.880  -2.682  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -3.801  -2.687  -0.468  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -0.780   0.050  -1.576  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 8