REMARK  Name = BDB014418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.137   1.440   2.623  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        2.464   2.262   2.897  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        1.357   2.039   2.115  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        1.300   2.518   1.220  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        2.556   1.889   4.064  0.00  0.00    -0.272 OA
BRANCH   2   6
ATOM      6  C   LIG    1        3.585   3.043   2.201  0.00  0.00    +0.324 C 
BRANCH   6   7
ATOM      7  O   LIG    1        3.542   3.037   0.779  0.00  0.00    -0.483 OA
BRANCH   7  11
ATOM      8  C   LIG    1        4.760  -0.268  -1.468  0.00  0.00    +0.120 A 
ATOM      9  C   LIG    1        4.307   0.913  -2.056  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        3.914   1.995  -1.265  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        3.969   1.913   0.127  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1        4.421   0.733   0.718  0.00  0.00    +0.049 A 
ATOM     13  C   LIG    1        4.816  -0.353  -0.077  0.00  0.00    +0.049 A 
BRANCH   8  15
ATOM     14  C   LIG    1        5.620  -2.458  -1.799  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        5.111  -1.251  -2.351  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
ENDBRANCH   7  11
ENDBRANCH   6   7
ENDBRANCH   2   6
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1       -0.635   0.738   1.495  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -0.941   1.716   0.492  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -1.197   1.220  -0.305  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -1.918   0.082   2.058  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.783  -0.683   1.145  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -3.755   0.149   0.422  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -4.617  -0.627  -0.553  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -4.262  -1.922  -0.971  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -5.069  -2.603  -1.893  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -6.208  -1.994  -2.417  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.554  -0.705  -2.020  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.053  -2.599  -0.378  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -5.763  -0.024  -1.094  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -2.074  -1.600   0.253  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 9