REMARK  Name = BDB039676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.494  -1.474  -1.443  0.00  0.00    -0.292 NA
ATOM      2  C   LIG    1       -0.235  -0.022  -1.590  0.00  0.00    +0.077 C 
ATOM      3  C   LIG    1        1.220   0.446  -1.348  0.00  0.00    +0.091 C 
ATOM      4  C   LIG    1        1.421   0.585  -2.873  0.00  0.00    +0.025 C 
ATOM      5  N   LIG    1        2.167  -0.468  -0.731  0.00  0.00    -0.323 N 
ATOM      6  C   LIG    1        1.913  -1.916  -0.806  0.00  0.00    +0.121 C 
ATOM      7  C   LIG    1       -0.083   0.336  -3.083  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1        0.716  -2.268  -1.698  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        3.416  -0.060  -0.205  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        3.921   1.233  -0.399  0.00  0.00    +0.134 A 
ATOM     11  N   LIG    1        5.099   1.710   0.079  0.00  0.00    -0.249 NA
ATOM     12  C   LIG    1        5.844   0.856   0.814  0.00  0.00    +0.125 A 
ATOM     13  C   LIG    1        5.452  -0.448   1.083  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        4.231  -0.898   0.569  0.00  0.00    +0.027 A 
BRANCH  12  15
ATOM     15  C   LIG    1        7.141   1.385   1.346  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1        8.215   0.507   1.291  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        8.143  -0.290   0.672  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        9.537   0.964   1.643  0.00  0.00    +0.128 C 
ATOM     19  O   LIG    1        7.232   2.526   1.787  0.00  0.00    -0.269 OA
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  20
ATOM     20  C   LIG    1       -1.040  -1.744  -0.101  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1       -6.963   0.397   1.179  0.00  0.00    +0.107 A 
ATOM     22  C   LIG    1       -6.050   1.052   2.221  0.00  0.00    +0.271 A 
ATOM     23  O   LIG    1       -6.500   1.806   3.071  0.00  0.00    -0.266 OA
ATOM     24  N   LIG    1       -4.718   0.732   2.129  0.00  0.00    -0.318 N 
ATOM     25  H   LIG    1       -4.092   1.149   2.803  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -4.256  -0.137   1.137  0.00  0.00    +0.087 A 
ATOM     27  C   LIG    1       -5.157  -0.690   0.220  0.00  0.00    +0.177 A 
ATOM     28  N   LIG    1       -4.777  -1.532  -0.758  0.00  0.00    -0.234 NA
ATOM     29  C   LIG    1       -3.458  -1.830  -0.831  0.00  0.00    +0.118 A 
ATOM     30  C   LIG    1       -2.486  -1.331   0.036  0.00  0.00    -0.013 A 
ATOM     31  C   LIG    1       -2.907  -0.463   1.049  0.00  0.00    +0.035 A 
ATOM     32  N   LIG    1       -6.529  -0.407   0.254  0.00  0.00    -0.226 NA
BRANCH  21  34
ATOM     33  C   LIG    1       -8.697   2.063   0.536  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1       -8.431   0.745   1.240  0.00  0.00    +0.058 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 5