REMARK  Name = BDB021441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.299   2.148  -0.985  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.174   1.043  -1.257  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.414   0.255  -2.240  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -0.128  -1.028  -2.664  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1       -1.585  -0.866  -3.053  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -2.437  -1.131  -1.952  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1       -2.312  -0.386  -0.816  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1       -3.342  -0.697   0.096  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -3.457  -0.070   1.344  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1       -2.506   0.884   1.691  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -1.476   1.197   0.800  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -1.353   0.570  -0.463  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1        1.626   0.747  -2.918  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.949   0.252  -2.293  0.00  0.00    +0.146 C 
BRANCH  14  15
ATOM     15  O   LIG    1        2.938  -1.183  -2.257  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1        2.341  -1.431  -1.529  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1        3.205   0.847  -0.883  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1        4.559   0.724  -0.309  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        5.032  -0.662  -0.186  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1        6.408  -0.758   0.445  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        7.293   0.335   0.406  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        8.574   0.214   0.959  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        8.986  -0.993   1.524  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        8.119  -2.084   1.546  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.836   1.654  -0.168  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1        6.838  -1.969   1.006  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        5.561   1.530  -1.016  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   9  28
ATOM     28  C   LIG    1       -4.576  -0.437   2.295  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -5.914  -0.287   1.701  0.00  0.00    -0.298 NA
ATOM     30  C   LIG    1       -6.920  -0.988   2.519  0.00  0.00    +0.087 C 
ATOM     31  C   LIG    1       -8.354  -0.527   2.251  0.00  0.00    +0.052 C 
ATOM     32  C   LIG    1       -8.488   0.027   0.846  0.00  0.00    +0.168 C 
ATOM     33  F   LIG    1       -9.768   0.449   0.653  0.00  0.00    -0.245 F 
ATOM     34  C   LIG    1       -7.543   1.201   0.620  0.00  0.00    +0.052 C 
ATOM     35  C   LIG    1       -6.283   1.114   1.486  0.00  0.00    +0.087 C 
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 7