REMARK  Name = BDB014531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.018  -2.356  -1.824  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        2.086  -1.971  -0.659  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        1.014  -1.393  -0.004  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        1.028  -1.360   1.011  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.310  -1.386  -0.601  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.232  -0.408   0.132  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -1.291  -0.773   1.523  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -2.137  -0.390   1.839  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -2.658  -0.435  -0.456  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -3.599   0.343   0.382  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -4.990  -0.033   0.042  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -6.037   0.811   0.738  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -5.718   2.082   1.247  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -6.711   2.858   1.859  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -8.020   2.386   1.943  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -8.345   1.136   1.422  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.296   2.577   1.192  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -7.360   0.353   0.820  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -3.437   1.796   0.187  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        3.349  -2.057   0.206  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1        4.432  -2.709  -0.450  0.00  0.00    -0.481 OA
BRANCH  21  22
ATOM     22  C   LIG    1        5.305  -1.814  -1.014  0.00  0.00    +0.148 A 
ATOM     23  C   LIG    1        6.191  -1.044  -0.243  0.00  0.00    +0.129 A 
ATOM     24  C   LIG    1        7.091  -0.200  -0.921  0.00  0.00    +0.071 A 
ATOM     25  N   LIG    1        7.991   0.578  -0.182  0.00  0.00    -0.320 N 
ATOM     26  H   LIG    1        8.653   1.189  -0.639  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        8.022   0.526   1.186  0.00  0.00    +0.267 A 
ATOM     28  C   LIG    1        7.024  -0.408   1.829  0.00  0.00    +0.181 A 
ATOM     29  O   LIG    1        8.784   1.174   1.887  0.00  0.00    -0.266 OA
ATOM     30  C   LIG    1        7.111  -0.128  -2.316  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        6.232  -0.914  -3.060  0.00  0.00    +0.006 A 
ATOM     32  N   LIG    1        6.171  -1.129   1.170  0.00  0.00    -0.244 NA
ATOM     33  C   LIG    1        5.337  -1.763  -2.411  0.00  0.00    +0.048 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8