REMARK  Name = BDB014440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.747   0.865  -0.540  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.756   0.070   0.016  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        1.005  -0.858   0.337  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.492   1.880  -1.180  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        3.163   0.357  -0.254  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        4.142   1.202  -0.840  0.00  0.00    -0.483 OA
BRANCH   6   9
ATOM      7  C   LIG    1        7.299  -0.517   0.106  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        5.923  -0.249   0.043  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1        5.450   0.832  -0.701  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1        6.361   1.643  -1.382  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        7.729   1.374  -1.337  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        8.201   0.290  -0.597  0.00  0.00    +0.013 A 
BRANCH   7  16
ATOM     13  N   LIG    1        9.044  -1.711   1.333  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        9.283  -2.451   1.982  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        9.627  -0.887   1.339  0.00  0.00    +0.145 HD
ATOM     16  C   LIG    1        7.743  -1.685   0.914  0.00  0.00    +0.242 C 
ATOM     17  O   LIG    1        6.965  -2.578   1.229  0.00  0.00    -0.270 OA
ENDBRANCH   7  16
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1       -0.654   0.314  -0.278  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.205   1.542   0.465  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.073   1.359   1.882  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -0.130   1.166   2.028  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.670   1.860   0.082  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.603   0.711   0.032  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.862   1.133  -0.620  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.949   0.081  -0.597  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.926  -0.958   0.348  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -6.961  -1.901   0.374  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -8.029  -1.799  -0.517  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -8.066  -0.759  -1.443  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.754  -1.091   1.285  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -7.034   0.179  -1.481  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.910   0.190   1.376  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 9