REMARK  Name = BDB011514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.358  -0.899   0.876  0.00  0.00    +0.197 C 
ATOM      2  C   LIG    1        0.328   0.194   1.078  0.00  0.00    +0.244 C 
ATOM      3  O   LIG    1        0.745   1.333   1.347  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.033  -0.079   0.910  0.00  0.00    -0.262 N 
ATOM      5  C   LIG    1       -1.649  -1.405   0.813  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -1.007  -2.657   0.955  0.00  0.00    +0.142 A 
ATOM      7  C   LIG    1       -1.714  -3.867   0.761  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -3.069  -3.891   0.475  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -3.738  -2.691   0.384  0.00  0.00    +0.002 A 
ATOM     10  O   LIG    1        0.282  -2.963   1.284  0.00  0.00    -0.488 OA
ATOM     11  C   LIG    1       -3.039  -1.486   0.554  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        1.058  -1.960   1.903  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.829  -0.925   0.625  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.685  -0.298   1.052  0.00  0.00    -0.300 N 
ATOM     15  H   LIG    1        2.691   0.691   1.284  0.00  0.00    +0.150 HD
ATOM     16  O   LIG    1        3.819  -2.087   0.216  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.141  -0.110   0.786  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.044   1.267   0.135  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        7.481  -0.766   0.900  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        6.243  -0.858   0.141  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.957  -1.843   0.081  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.897   1.129   0.984  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.714   1.550  -0.248  0.00  0.00    -0.019 A 
ATOM     24  C   LIG    1       -2.186   1.546  -1.585  0.00  0.00    -0.013 A 
ATOM     25  C   LIG    1       -3.058   1.842  -2.668  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1       -2.600   1.804  -3.996  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -1.275   1.505  -4.292  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -0.389   1.259  -3.257  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.387   2.194  -2.427  0.00  0.00    +0.009 A 
ATOM     30  C   LIG    1       -4.872   2.297  -1.130  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -0.839   1.289  -1.932  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1       -4.051   2.004  -0.036  0.00  0.00    -0.045 A 
ATOM     33  C   LIG    1       -4.651   2.161   1.340  0.00  0.00    +0.044 C 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5