REMARK  Name = BDB029347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.498   0.886   0.446  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1       -3.556  -0.016   0.352  0.00  0.00    +0.167 A 
ATOM      3  N   LIG    1       -3.404  -1.350   0.063  0.00  0.00    -0.238 NA
ATOM      4  C   LIG    1       -2.164  -1.817  -0.139  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1       -1.018  -1.000  -0.061  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        0.266  -1.563  -0.284  0.00  0.00    +0.130 A 
ATOM      7  C   LIG    1        0.390  -2.922  -0.579  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -0.747  -3.720  -0.656  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -2.006  -3.161  -0.436  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1       -1.220   0.367   0.237  0.00  0.00    +0.061 A 
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -4.996   0.396   0.558  0.00  0.00    +0.264 C 
ATOM     12  O   LIG    1       -5.384   1.528   0.811  0.00  0.00    -0.269 OA
ATOM     13  N   LIG    1       -5.902  -0.629   0.436  0.00  0.00    -0.324 N 
ATOM     14  H   LIG    1       -5.571  -1.560   0.210  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -6.886  -0.436   0.544  0.00  0.00    +0.145 HD
ENDBRANCH   2  11
BRANCH   1  17
ATOM     16  C   LIG    1       -1.683   3.120   0.694  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -2.759   2.192   0.739  0.00  0.00    -0.493 OA
ENDBRANCH   1  17
BRANCH   6  18
ATOM     18  O   LIG    1        1.326  -0.700  -0.172  0.00  0.00    -0.489 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.615  -1.156  -0.585  0.00  0.00    +0.251 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.625  -0.006  -0.493  0.00  0.00    +0.111 C 
ATOM     21  N   LIG    1        3.304   1.118  -1.336  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1        3.069   1.073  -2.320  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        3.750   2.308  -0.801  0.00  0.00    +0.213 C 
ATOM     24  O   LIG    1        3.761   3.378  -1.383  0.00  0.00    -0.276 OA
ATOM     25  C   LIG    1        4.267   2.037   0.589  0.00  0.00    +0.098 C 
ATOM     26  C   LIG    1        3.725   0.640   0.886  0.00  0.00    +0.035 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 5