REMARK  Name = BDB011116
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.959  -1.353   0.061  0.00  0.00    +0.242 C 
ATOM      2  N   LIG    1        0.068  -1.994  -0.597  0.00  0.00    -0.249 N 
ATOM      3  C   LIG    1        1.494  -1.569  -0.726  0.00  0.00    +0.104 C 
ATOM      4  C   LIG    1        2.233  -2.802  -1.292  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1        1.105  -3.559  -1.908  0.00  0.00    -0.005 A 
ATOM      6  C   LIG    1        1.166  -4.652  -2.754  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -0.035  -5.245  -3.123  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -1.221  -4.725  -2.611  0.00  0.00    +0.113 A 
ATOM      9  N   LIG    1       -1.289  -3.664  -1.773  0.00  0.00    -0.240 NA
ATOM     10  C   LIG    1       -0.123  -3.096  -1.450  0.00  0.00    +0.131 A 
ATOM     11  O   LIG    1       -2.162  -1.546  -0.156  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -0.578  -0.382   1.209  0.00  0.00    +0.162 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -1.531   1.750   0.394  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1       -1.621   0.654   1.230  0.00  0.00    -0.302 N 
ATOM     15  H   LIG    1       -2.560   0.291   1.355  0.00  0.00    +0.150 HD
ATOM     16  O   LIG    1       -0.519   2.006  -0.258  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1       -2.824   2.595   0.311  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1       -3.682   2.028  -0.820  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1       -3.576   4.911   0.041  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1       -2.443   4.008   0.133  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1       -1.858   4.085  -0.702  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH  12  14
BRANCH  12  22
ATOM     22  C   LIG    1       -0.496  -1.075   2.593  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1       -1.715  -1.942   2.931  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1        0.780  -1.902   2.757  0.00  0.00    +0.009 C 
ENDBRANCH  12  22
ENDBRANCH   1  12
BRANCH   3  25
ATOM     25  C   LIG    1        1.637  -0.357  -1.691  0.00  0.00    +0.129 C 
BRANCH  25  26
ATOM     26  N   LIG    1        1.889   0.903  -1.018  0.00  0.00    -0.297 N 
ATOM     27  H   LIG    1        1.075   1.455  -0.748  0.00  0.00    +0.150 HD
ATOM     28  C   LIG    1        3.054   1.109  -0.329  0.00  0.00    +0.302 C 
ATOM     29  N   LIG    1        3.195   2.349   0.260  0.00  0.00    -0.292 N 
ATOM     30  C   LIG    1        2.264   3.459   0.108  0.00  0.00    +0.133 C 
ATOM     31  C   LIG    1        4.305   2.571   1.171  0.00  0.00    +0.133 C 
ATOM     32  O   LIG    1        3.903   0.222  -0.250  0.00  0.00    -0.253 OA
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 7