REMARK  Name = BDB047624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.617   1.856   2.532  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.800   1.180   1.170  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.499   0.710   0.718  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.742   1.342   1.015  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.321   0.377  -0.641  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -3.337  -0.118  -1.491  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.030  -0.432  -2.834  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.741  -0.315  -3.344  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.719   0.109  -2.512  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -4.690  -0.349  -1.162  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.298  -0.639  -1.919  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.384  -0.310   0.002  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.589  -0.581  -0.036  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.997   0.429  -1.173  0.00  0.00    +0.059 A 
ATOM     15  C   LIG    1       -4.718  -0.015   1.305  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.139   0.892  -0.324  0.00  0.00    +0.246 C 
ATOM     17  N   LIG    1        1.316   0.189  -0.450  0.00  0.00    -0.304 N 
ATOM     18  H   LIG    1        1.369  -0.609  -1.069  0.00  0.00    +0.150 HD
ATOM     19  O   LIG    1       -0.008   1.837   0.445  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.513   0.556   0.291  0.00  0.00    +0.110 C 
ATOM     21  C   LIG    1        3.438  -0.625   0.469  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        4.816  -0.486   0.263  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1        5.669  -1.582   0.403  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        5.162  -2.820   0.792  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        3.799  -2.963   1.044  0.00  0.00    +0.001 A 
ATOM     26  O   LIG    1        5.413   0.692  -0.101  0.00  0.00    -0.492 OA
ATOM     27  C   LIG    1        4.618   1.852   0.158  0.00  0.00    +0.231 C 
ATOM     28  C   LIG    1        2.943  -1.872   0.889  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1        3.227   1.704  -0.422  0.00  0.00    +0.068 C 
ENDBRANCH  17  20
ENDBRANCH  14  16
TORSDOF 2