REMARK  Name = BDB008554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.663  -1.178  -1.583  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -1.448  -0.335  -2.849  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1        1.693  -0.559   0.218  0.00  0.00    +0.162 A 
ATOM      4  C   LIG    1        1.536  -1.327   1.382  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1        0.363  -2.073   1.536  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -0.652  -2.018   0.575  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -0.535  -1.204  -0.562  0.00  0.00    -0.024 A 
ATOM      8  C   LIG    1        0.657  -0.485  -0.725  0.00  0.00    +0.055 A 
BRANCH   4   9
ATOM      9  O   LIG    1        2.547  -1.308   2.305  0.00  0.00    -0.491 OA
ATOM     10  C   LIG    1        2.225  -1.730   3.625  0.00  0.00    +0.277 C 
ENDBRANCH   4   9
BRANCH   3  11
ATOM     11  O   LIG    1        2.780   0.219  -0.096  0.00  0.00    -0.488 OA
BRANCH  11  12
ATOM     12  C   LIG    1        4.054  -0.363   0.180  0.00  0.00    +0.231 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.079   0.208  -0.796  0.00  0.00    +0.069 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.213   1.724  -0.669  0.00  0.00    +0.163 C 
BRANCH  14  16
ATOM     15  C   LIG    1        7.517   2.144  -1.088  0.00  0.00    +0.193 C 
ATOM     16  O   LIG    1        6.188   2.228  -1.585  0.00  0.00    -0.383 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   3  11
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  N   LIG    1       -3.006  -0.930  -0.993  0.00  0.00    -0.289 N 
ATOM     18  C   LIG    1       -3.417   0.192  -0.266  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1       -4.577   0.273   0.165  0.00  0.00    -0.273 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -2.409   1.320   0.066  0.00  0.00    +0.217 C 
ATOM     21  O   LIG    1       -1.647   1.079   1.254  0.00  0.00    -0.365 OA
ATOM     22  C   LIG    1       -2.432   1.211   2.444  0.00  0.00    +0.176 C 
ATOM     23  C   LIG    1       -3.077   2.600   2.538  0.00  0.00    +0.109 C 
ATOM     24  N   LIG    1       -3.924   2.902   1.372  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -4.679   2.206   1.343  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -3.122   2.695   0.146  0.00  0.00    +0.122 C 
ENDBRANCH  18  20
BRANCH  17  27
ATOM     27  C   LIG    1       -3.982  -1.997  -1.169  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1       -5.247  -1.764  -1.960  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -4.215  -2.713  -2.477  0.00  0.00    +0.024 C 
ENDBRANCH  17  27
ENDBRANCH   1  17
TORSDOF 10