REMARK  Name = BDB014467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.523   2.584   2.148  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -2.645   2.310   0.871  0.00  0.00    +0.234 C 
ATOM      3  N   LIG    1       -1.894   2.131   2.013  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1       -2.306   1.539   2.731  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -2.276   3.000  -0.075  0.00  0.00    -0.274 OA
BRANCH   2   6
ATOM      6  C   LIG    1       -3.959   1.487   0.858  0.00  0.00    +0.168 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -3.695   0.112   0.266  0.00  0.00    -0.022 A 
ATOM      8  C   LIG    1       -3.648  -0.032  -1.131  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1       -3.348  -1.265  -1.712  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -3.088  -2.372  -0.908  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.123  -2.246   0.478  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.421  -1.013   1.062  0.00  0.00    +0.005 A 
ENDBRANCH   6   7
BRANCH   6  13
ATOM     13  N   LIG    1       -4.519   1.415   2.233  0.00  0.00    -0.316 NA
ATOM     14  H   LIG    1       -5.413   0.925   2.170  0.00  0.00    +0.119 HD
ATOM     15  H   LIG    1       -4.751   2.367   2.521  0.00  0.00    +0.119 HD
ENDBRANCH   6  13
ENDBRANCH   2   6
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1        0.503   1.548   1.643  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1        0.192   0.281   2.245  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -0.635  -0.019   1.826  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1        0.532   1.442   0.095  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.645   0.707  -0.535  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        1.675  -0.722  -0.190  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        2.798  -1.468  -0.885  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        3.935  -0.783  -1.351  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1        4.979  -1.497  -1.954  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        4.908  -2.885  -2.071  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.792  -3.568  -1.593  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.996   0.722  -1.263  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        2.744  -2.865  -0.999  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        2.958   1.308  -0.292  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 8