REMARK  Name = BDB052390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.775   0.102   0.365  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        2.917  -0.200  -0.274  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1        4.056   0.077   0.378  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1        5.310  -0.212  -0.290  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1        5.567  -0.916  -1.429  0.00  0.00    -0.264 N 
ATOM      6  C   LIG    1        4.618  -1.580  -2.290  0.00  0.00    +0.173 C 
ATOM      7  N   LIG    1        6.887  -0.975  -1.730  0.00  0.00    -0.166 NA
ATOM      8  C   LIG    1        7.492  -0.269  -0.747  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1        6.537   0.218   0.177  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        6.659   1.060   1.400  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        5.445   0.862   2.345  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1        4.128   0.647   1.639  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1        2.909   0.899   2.211  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1        1.738   0.644   1.595  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1        8.949  -0.074  -0.724  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1        9.546   0.572   0.131  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1        9.608  -0.679  -1.757  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1        9.059  -1.171  -2.453  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       10.605  -0.573  -1.850  0.00  0.00    +0.145 HD
ENDBRANCH   8  15
BRANCH   1  20
ATOM     20  N   LIG    1        0.616  -0.191  -0.338  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        0.828  -0.579  -1.247  0.00  0.00    +0.155 HD
BRANCH  20  23
ATOM     22  C   LIG    1       -1.667  -0.466  -1.086  0.00  0.00    +0.143 A 
ATOM     23  C   LIG    1       -0.758  -0.053  -0.089  0.00  0.00    +0.076 A 
ATOM     24  C   LIG    1       -1.282   0.467   1.091  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1       -2.667   0.577   1.281  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1       -3.589   0.168   0.309  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1       -3.051  -0.351  -0.880  0.00  0.00    +0.070 A 
BRANCH  26  28
ATOM     28  N   LIG    1       -4.957   0.282   0.499  0.00  0.00    -0.327 N 
ATOM     29  C   LIG    1       -5.905  -0.601  -0.203  0.00  0.00    +0.120 C 
ATOM     30  C   LIG    1       -7.174  -0.859   0.644  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1       -7.897   0.345   1.106  0.00  0.00    -0.302 NA
ATOM     32  C   LIG    1       -9.030   0.664   0.243  0.00  0.00    +0.105 C 
ATOM     33  C   LIG    1       -6.988   1.506   1.222  0.00  0.00    +0.103 C 
ATOM     34  C   LIG    1       -5.525   1.136   1.557  0.00  0.00    +0.120 C 
ENDBRANCH  26  28
BRANCH  22  36
ATOM     35  C   LIG    1       -1.949  -1.386  -3.275  0.00  0.00    +0.277 C 
ATOM     36  O   LIG    1       -1.080  -0.966  -2.231  0.00  0.00    -0.493 OA
ENDBRANCH  22  36
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 5