REMARK  Name = BDB018875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.276   0.861  -1.425  0.00  0.00    +0.240 C 
ATOM      2  N   LIG    1       -0.013   0.356  -1.430  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -1.000   0.192  -0.436  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -2.157  -0.357  -1.007  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -3.306  -0.622  -0.259  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1       -3.267  -0.328   1.113  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -2.115   0.209   1.714  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -1.994  -0.550  -2.485  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -0.980   0.466   0.920  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -0.518  -0.226  -2.682  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1        1.951   0.809  -2.465  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1        4.255   0.827  -0.276  0.00  0.00    +0.404 C 
ATOM     13  N   LIG    1        3.289   1.800  -0.290  0.00  0.00    -0.256 N 
ATOM     14  C   LIG    1        1.846   1.552  -0.171  0.00  0.00    +0.166 C 
ATOM     15  C   LIG    1        1.247   2.961  -0.031  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        2.415   3.829   0.426  0.00  0.00    +0.021 C 
ATOM     17  C   LIG    1        3.605   3.208  -0.280  0.00  0.00    +0.112 C 
ATOM     18  O   LIG    1        5.455   1.061  -0.329  0.00  0.00    -0.226 OA
BRANCH  12  19
ATOM     19  O   LIG    1        3.707  -0.411  -0.176  0.00  0.00    -0.445 OA
BRANCH  19  21
ATOM     20  C   LIG    1        5.474  -1.651   1.009  0.00  0.00    +0.055 C 
ATOM     21  C   LIG    1        4.535  -1.600  -0.201  0.00  0.00    +0.107 C 
ATOM     22  C   LIG    1        3.539  -2.765  -0.099  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1        5.296  -1.722  -1.526  0.00  0.00    +0.055 C 
ENDBRANCH  19  21
ENDBRANCH  12  19
ENDBRANCH   1  14
BRANCH   7  24
ATOM     24  C   LIG    1       -2.052   0.523   3.148  0.00  0.00    +0.138 A 
ATOM     25  N   LIG    1       -2.976   0.117   4.086  0.00  0.00    -0.344 N 
ATOM     26  H   LIG    1       -3.792  -0.447   3.902  0.00  0.00    +0.167 HD
ATOM     27  C   LIG    1       -2.588   0.590   5.309  0.00  0.00    +0.104 A 
ATOM     28  C   LIG    1       -1.423   1.272   5.071  0.00  0.00    +0.130 A 
ATOM     29  N   LIG    1       -1.099   1.222   3.741  0.00  0.00    -0.236 NA
ENDBRANCH   7  24
BRANCH   5  30
ATOM     30  C   LIG    1       -4.521  -1.174  -0.862  0.00  0.00    -0.018 A 
ATOM     31  C   LIG    1       -4.639  -2.550  -1.107  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1       -5.799  -3.076  -1.680  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -6.856  -2.231  -2.014  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -6.755  -0.862  -1.775  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1       -5.595  -0.337  -1.202  0.00  0.00    +0.008 A 
ENDBRANCH   5  30
TORSDOF 5