REMARK  Name = BDB039684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.098   0.632   0.532  0.00  0.00    -0.323 N 
ATOM      2  C   LIG    1        1.704   1.778   1.346  0.00  0.00    +0.091 C 
ATOM      3  C   LIG    1        0.234   1.784   1.909  0.00  0.00    +0.077 C 
ATOM      4  C   LIG    1        0.775   0.919   3.077  0.00  0.00    +0.022 C 
ATOM      5  N   LIG    1       -0.770   1.133   1.050  0.00  0.00    -0.292 NA
ATOM      6  C   LIG    1       -0.241   0.805  -0.275  0.00  0.00    +0.104 C 
ATOM      7  C   LIG    1        2.139   1.601   2.834  0.00  0.00    +0.025 C 
ATOM      8  C   LIG    1        1.043  -0.032  -0.250  0.00  0.00    +0.121 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        6.103  -0.285  -0.316  0.00  0.00    +0.125 A 
ATOM     10  N   LIG    1        5.812   0.914   0.235  0.00  0.00    -0.249 NA
ATOM     11  C   LIG    1        4.503   1.165   0.489  0.00  0.00    +0.134 A 
ATOM     12  C   LIG    1        3.435   0.299   0.221  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        3.797  -0.933  -0.340  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        5.134  -1.234  -0.615  0.00  0.00    +0.035 A 
BRANCH   9  18
ATOM     15  C   LIG    1        9.184  -1.411  -2.208  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1        7.819  -1.224  -1.782  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        7.100  -1.232  -2.493  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        7.551  -0.562  -0.591  0.00  0.00    +0.262 C 
ATOM     19  O   LIG    1        8.428  -0.207   0.189  0.00  0.00    -0.269 OA
ENDBRANCH   9  18
ENDBRANCH   1  12
BRANCH   5  20
ATOM     20  C   LIG    1       -1.552   0.083   1.701  0.00  0.00    +0.121 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.863  -0.197   1.004  0.00  0.00    -0.013 A 
ATOM     22  C   LIG    1       -3.763   0.832   0.693  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1       -4.960   0.515   0.066  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1       -5.234  -0.817  -0.226  0.00  0.00    +0.091 A 
ATOM     25  C   LIG    1       -6.490  -1.158  -0.884  0.00  0.00    +0.081 A 
ATOM     26  C   LIG    1       -7.390  -0.212  -1.217  0.00  0.00    +0.186 A 
ATOM     27  C   LIG    1       -7.079   1.236  -0.894  0.00  0.00    +0.291 A 
ATOM     28  O   LIG    1       -7.853   2.149  -1.172  0.00  0.00    -0.264 OA
ATOM     29  N   LIG    1       -4.396  -1.836   0.067  0.00  0.00    -0.253 NA
ATOM     30  N   LIG    1       -5.885   1.505  -0.273  0.00  0.00    -0.318 N 
ATOM     31  H   LIG    1       -5.702   2.479  -0.070  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1       -3.236  -1.501   0.679  0.00  0.00    +0.116 A 
BRANCH  26  33
ATOM     33  O   LIG    1       -8.604  -0.433  -1.839  0.00  0.00    -0.490 OA
ATOM     34  C   LIG    1       -8.955  -1.771  -2.162  0.00  0.00    +0.277 C 
ENDBRANCH  26  33
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 5