REMARK  Name = BDB041269
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.020   2.264   1.500  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -1.743   3.448   2.165  0.00  0.00    +0.029 C 
ENDROOT
BRANCH   1  12
ATOM      3  C   LIG    1       -5.402  -1.514  -1.530  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1       -5.019  -2.174  -0.237  0.00  0.00    +0.252 A 
ATOM      5  O   LIG    1       -5.498  -3.248   0.112  0.00  0.00    -0.268 OA
ATOM      6  N   LIG    1       -4.101  -1.524   0.548  0.00  0.00    -0.321 N 
ATOM      7  H   LIG    1       -3.860  -1.983   1.415  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -3.515  -0.304   0.192  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -3.860   0.306  -1.012  0.00  0.00    +0.088 A 
ATOM     10  N   LIG    1       -3.346   1.480  -1.431  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1       -2.444   2.067  -0.609  0.00  0.00    +0.116 A 
ATOM     12  C   LIG    1       -2.026   1.539   0.617  0.00  0.00    -0.010 A 
ATOM     13  C   LIG    1       -2.588   0.319   1.019  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1       -4.832  -0.347  -1.881  0.00  0.00    +0.038 A 
BRANCH   3  16
ATOM     15  C   LIG    1       -7.827  -2.058  -1.904  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -6.398  -2.230  -2.400  0.00  0.00    +0.037 C 
ENDBRANCH   3  16
ENDBRANCH   1  12
BRANCH   1  17
ATOM     17  N   LIG    1        0.148   2.747   0.731  0.00  0.00    -0.289 NA
ATOM     18  C   LIG    1        1.275   3.132   1.616  0.00  0.00    +0.131 C 
ATOM     19  C   LIG    1        1.928   1.749   1.410  0.00  0.00    +0.201 C 
ATOM     20  C   LIG    1        0.973   1.630   0.204  0.00  0.00    +0.131 C 
BRANCH  19  21
ATOM     21  O   LIG    1        3.348   1.770   1.145  0.00  0.00    -0.485 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.974   0.607   0.788  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        5.294   0.717   0.367  0.00  0.00    +0.157 A 
ATOM     24  N   LIG    1        6.068  -0.327  -0.018  0.00  0.00    -0.247 NA
ATOM     25  C   LIG    1        5.499  -1.557   0.019  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        4.184  -1.760   0.434  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        3.413  -0.662   0.824  0.00  0.00    +0.049 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.311  -2.754  -0.391  0.00  0.00    +0.262 C 
ATOM     29  N   LIG    1        7.601  -2.646  -0.859  0.00  0.00    -0.313 N 
ATOM     30  H   LIG    1        8.015  -3.539  -1.093  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1        8.393  -1.457  -1.063  0.00  0.00    +0.128 C 
ATOM     32  O   LIG    1        5.816  -3.881  -0.313  0.00  0.00    -0.269 OA
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  17
TORSDOF 6