REMARK  Name = BDB037090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.910  -0.201  -0.255  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        0.570  -0.318   0.007  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        0.032  -0.973   0.880  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.129   0.520  -0.969  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1        0.844   1.164  -1.722  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        0.541   2.096  -2.706  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -0.807   2.386  -2.929  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -1.770   1.720  -2.171  0.00  0.00    +0.125 A 
ATOM      9  O   LIG    1       -3.113   1.971  -2.284  0.00  0.00    -0.491 OA
ATOM     10  C   LIG    1       -3.727   0.875  -1.562  0.00  0.00    +0.240 C 
ATOM     11  C   LIG    1       -2.713   0.315  -0.524  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -2.860  -1.219  -0.394  0.00  0.00    +0.030 C 
ATOM     13  C   LIG    1       -3.431  -1.641   0.960  0.00  0.00    +0.082 C 
ATOM     14  N   LIG    1       -4.563  -0.786   1.297  0.00  0.00    -0.316 NA
ATOM     15  H   LIG    1       -5.049  -1.159   2.113  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -4.147   0.590   1.572  0.00  0.00    +0.082 C 
ATOM     17  C   LIG    1       -2.870   1.014   0.840  0.00  0.00    +0.030 C 
ATOM     18  C   LIG    1       -1.461   0.778  -1.195  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1        2.148   0.713  -1.243  0.00  0.00    +0.255 C 
ATOM     20  O   LIG    1        3.211   1.130  -1.662  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  27
ATOM     21  O   LIG    1        6.617  -1.021   2.455  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1        5.532  -0.953   1.885  0.00  0.00    +0.219 C 
ATOM     23  N   LIG    1        4.635   0.041   2.189  0.00  0.00    -0.255 N 
ATOM     24  H   LIG    1        4.951   0.733   2.854  0.00  0.00    +0.158 HD
ATOM     25  C   LIG    1        3.414   0.287   1.600  0.00  0.00    +0.240 C 
ATOM     26  O   LIG    1        2.756   1.275   1.920  0.00  0.00    -0.273 OA
ATOM     27  C   LIG    1        2.930  -0.777   0.608  0.00  0.00    +0.171 C 
ATOM     28  C   LIG    1        4.118  -1.380  -0.137  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1        5.087  -1.981   0.870  0.00  0.00    +0.098 C 
ENDBRANCH   1  27
TORSDOF 1