REMARK  Name = BDB049837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.620   0.288   0.324  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1       -2.307   0.296   0.752  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -2.022   0.079   2.170  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -0.662   0.640   2.593  0.00  0.00    +0.127 C 
ATOM      5  N   LIG    1        0.434   0.149   1.752  0.00  0.00    -0.292 N 
ATOM      6  C   LIG    1        1.740   0.275   2.241  0.00  0.00    +0.282 C 
ATOM      7  O   LIG    1        1.961   0.833   3.314  0.00  0.00    -0.267 OA
ATOM      8  C   LIG    1        0.116  -0.111   0.339  0.00  0.00    +0.127 C 
ATOM      9  C   LIG    1       -1.174   0.579  -0.130  0.00  0.00    +0.130 C 
ATOM     10  O   LIG    1       -4.564   0.035   1.060  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        2.800  -0.319   1.444  0.00  0.00    +0.195 A 
ATOM     12  N   LIG    1        2.833  -1.627   1.025  0.00  0.00    -0.334 N 
ATOM     13  H   LIG    1        2.133  -2.322   1.238  0.00  0.00    +0.168 HD
ATOM     14  C   LIG    1        3.980  -1.827   0.301  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1        4.634  -0.597   0.333  0.00  0.00    +0.102 A 
ATOM     16  C   LIG    1        5.874  -0.465  -0.323  0.00  0.00    +0.064 A 
ATOM     17  C   LIG    1        6.400  -1.588  -0.990  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        5.717  -2.807  -1.000  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        4.488  -2.954  -0.350  0.00  0.00    +0.028 A 
ATOM     20  N   LIG    1        3.888   0.320   1.052  0.00  0.00    -0.223 NA
BRANCH  16  21
ATOM     21  C   LIG    1        6.633   0.807  -0.332  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1        7.698   0.911  -0.928  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1        6.103   1.861   0.354  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        6.622   2.726   0.401  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        5.241   1.767   0.887  0.00  0.00    +0.145 HD
ENDBRANCH  16  21
ENDBRANCH   6  11
BRANCH   1  26
ATOM     26  O   LIG    1       -3.726   0.592  -0.994  0.00  0.00    -0.445 OA
BRANCH  26  28
ATOM     27  C   LIG    1       -5.714  -0.717  -1.633  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1       -5.021   0.650  -1.647  0.00  0.00    +0.107 C 
ATOM     29  C   LIG    1       -4.703   1.023  -3.103  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1       -5.902   1.748  -1.043  0.00  0.00    +0.055 C 
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 4