REMARK  Name = BDB051894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.873   1.023   0.420  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.159   0.203  -0.005  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1       -0.093  -0.542  -0.637  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.734   2.052   1.070  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      5  C   LIG    1       -3.876  -3.163  -1.206  0.00  0.00    +0.113 C 
ATOM      6  C   LIG    1       -4.661  -1.888  -1.111  0.00  0.00    +0.229 C 
ATOM      7  N   LIG    1       -3.931  -0.750  -0.691  0.00  0.00    -0.287 N 
ATOM      8  C   LIG    1       -4.440   0.540  -0.515  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -3.394   1.363  -0.079  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.666   2.726   0.179  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -4.954   3.235   0.000  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.978   2.406  -0.434  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -2.207   0.570  -0.003  0.00  0.00    +0.063 A 
ATOM     14  C   LIG    1       -5.741   1.054  -0.697  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -2.578  -0.711  -0.375  0.00  0.00    +0.108 A 
ATOM     16  O   LIG    1       -5.855  -1.808  -1.374  0.00  0.00    -0.273 OA
ENDBRANCH   1  13
BRANCH   2  17
ATOM     17  C   LIG    1        1.538   0.333   0.267  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        2.394  -0.587  -0.358  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1        3.785  -0.558  -0.160  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        4.310   0.421   0.691  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        3.469   1.344   1.327  0.00  0.00    +0.061 A 
ATOM     22  C   LIG    1        2.084   1.297   1.114  0.00  0.00    +0.038 A 
BRANCH  19  23
ATOM     23  C   LIG    1        4.665  -1.521  -0.819  0.00  0.00    +0.135 A 
ATOM     24  O   LIG    1        4.057  -2.456  -1.613  0.00  0.00    -0.463 OA
ATOM     25  C   LIG    1        5.031  -3.247  -2.129  0.00  0.00    +0.196 A 
ATOM     26  C   LIG    1        6.266  -2.843  -1.683  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1        6.032  -1.730  -0.838  0.00  0.00    +0.050 A 
ENDBRANCH  19  23
BRANCH  21  28
ATOM     28  C   LIG    1        4.096   2.350   2.218  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1        5.289   2.454   2.437  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        3.204   3.172   2.794  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        3.744   3.776   3.344  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  21  28
ENDBRANCH   2  17
TORSDOF 5