REMARK  Name = BDB018866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.680   0.148   0.932  0.00  0.00    +0.240 C 
ATOM      2  N   LIG    1        0.646   0.177   0.519  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.589  -0.854   0.705  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        2.814  -0.506   0.124  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        3.921  -1.358   0.180  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        3.752  -2.585   0.842  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        2.524  -2.936   1.420  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        2.747   0.864  -0.477  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1        1.433  -2.067   1.354  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        1.268   1.222  -0.308  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -1.186  -0.783   1.565  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1       -3.478   0.462  -0.446  0.00  0.00    +0.404 C 
ATOM     13  N   LIG    1       -2.929   1.159   0.597  0.00  0.00    -0.256 N 
ATOM     14  C   LIG    1       -1.499   1.434   0.653  0.00  0.00    +0.166 C 
ATOM     15  C   LIG    1       -1.342   2.398   1.838  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -2.754   2.919   2.099  0.00  0.00    +0.021 C 
ATOM     17  C   LIG    1       -3.642   1.751   1.707  0.00  0.00    +0.112 C 
ATOM     18  O   LIG    1       -2.822   0.077  -1.406  0.00  0.00    -0.226 OA
BRANCH  12  19
ATOM     19  O   LIG    1       -4.811   0.277  -0.282  0.00  0.00    -0.445 OA
BRANCH  19  21
ATOM     20  C   LIG    1       -7.016  -0.463  -0.700  0.00  0.00    +0.055 C 
ATOM     21  C   LIG    1       -5.584  -0.467  -1.257  0.00  0.00    +0.107 C 
ATOM     22  C   LIG    1       -5.588   0.236  -2.619  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1       -5.104  -1.918  -1.361  0.00  0.00    +0.055 C 
ENDBRANCH  19  21
ENDBRANCH  12  19
ENDBRANCH   1  14
BRANCH   5  24
ATOM     24  C   LIG    1        5.213  -1.004  -0.412  0.00  0.00    -0.013 A 
ATOM     25  C   LIG    1        6.300  -0.650   0.395  0.00  0.00    +0.051 A 
ATOM     26  C   LIG    1        7.510  -0.320  -0.199  0.00  0.00    +0.117 A 
ATOM     27  N   LIG    1        7.698  -0.335  -1.528  0.00  0.00    -0.241 NA
ATOM     28  C   LIG    1        6.646  -0.687  -2.297  0.00  0.00    +0.113 A 
ATOM     29  C   LIG    1        5.401  -1.022  -1.795  0.00  0.00    +0.028 A 
BRANCH  26  30
ATOM     30  N   LIG    1        8.613   0.016   0.580  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1        8.404   0.774   1.218  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1        9.364   0.257  -0.063  0.00  0.00    +0.144 HD
ENDBRANCH  26  30
ENDBRANCH   5  24
TORSDOF 5