REMARK  Name = BDB014562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.242   0.202   1.056  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        1.016  -0.974   0.368  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        1.738  -1.315  -0.255  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.519   0.593   1.968  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.471   0.982   0.582  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        3.647   0.705   1.341  0.00  0.00    -0.482 OA
BRANCH   6   8
ATOM      7  C   LIG    1        5.080  -0.513  -0.203  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        4.259  -0.454   0.936  0.00  0.00    +0.130 A 
ATOM      9  C   LIG    1        4.075  -1.579   1.744  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        4.658  -2.794   1.390  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        5.439  -2.879   0.240  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.652  -1.745  -0.549  0.00  0.00    +0.013 A 
BRANCH   7  15
ATOM     13  C   LIG    1        6.401   2.169   0.702  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        5.915   1.841  -0.617  0.00  0.00    -0.333 N 
ATOM     15  C   LIG    1        5.354   0.654  -1.038  0.00  0.00    +0.072 A 
ATOM     16  C   LIG    1        5.157   0.848  -2.394  0.00  0.00    +0.139 A 
ATOM     17  N   LIG    1        5.533   2.105  -2.785  0.00  0.00    -0.243 NA
ATOM     18  C   LIG    1        5.987   2.678  -1.696  0.00  0.00    +0.199 A 
ENDBRANCH   7  15
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1       -0.033  -1.902   0.752  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.373  -1.648   0.047  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.185  -2.828   0.164  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -3.106  -2.499   0.082  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.152  -0.454   0.640  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.549  -0.419   0.132  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.360   0.461   1.004  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.765   0.697   0.491  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.081   0.503  -0.864  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.381   0.758  -1.321  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.357   1.227  -0.441  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.042   1.440   0.899  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.039  -0.038  -1.807  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -6.753   1.179   1.363  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -3.614   0.090  -1.251  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 9