REMARK  Name = BDB021444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.115  -3.105  -1.107  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.105  -2.298  -0.169  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.643  -2.597   0.968  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.769  -1.778   2.165  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        0.753  -0.291   1.907  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -0.598   0.132   1.815  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1       -1.131  -0.008   0.567  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1       -2.007   1.048   0.252  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -2.660   1.128  -0.983  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1       -2.431   0.117  -1.912  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -1.581  -0.947  -1.593  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -0.918  -1.045  -0.346  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1        1.265  -3.922   1.032  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.529  -4.125   0.166  0.00  0.00    +0.146 C 
BRANCH  14  15
ATOM     15  O   LIG    1        2.964  -5.495   0.306  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1        3.111  -5.670   1.251  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1        3.727  -3.217   0.542  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.569  -1.772   0.302  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        4.678  -1.029   0.930  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1        4.634   0.458   0.651  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        3.967   0.956  -0.481  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        3.961   2.334  -0.736  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        4.637   3.210   0.112  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.319   2.717   1.222  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.203   0.019  -1.382  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1        5.321   1.348   1.490  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        3.537  -1.460  -1.139  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       -3.581   2.285  -1.299  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -4.724   2.369  -0.386  0.00  0.00    -0.296 NA
ATOM     30  C   LIG    1       -5.518   3.584  -0.621  0.00  0.00    +0.116 C 
ATOM     31  C   LIG    1       -6.904   3.264  -0.046  0.00  0.00    +0.130 C 
ATOM     32  C   LIG    1       -6.881   1.764   0.230  0.00  0.00    +0.048 C 
ATOM     33  C   LIG    1       -5.674   1.266  -0.548  0.00  0.00    +0.087 C 
BRANCH  31  34
ATOM     34  O   LIG    1       -7.917   3.570  -1.001  0.00  0.00    -0.390 OA
ATOM     35  H   LIG    1       -8.771   3.328  -0.603  0.00  0.00    +0.210 HD
ENDBRANCH  31  34
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 8