REMARK  Name = BDB049816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.420  -0.673  -0.473  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -2.341   0.226  -0.369  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -2.567   1.574  -0.650  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -1.349   2.176  -0.462  0.00  0.00    -0.334 N 
ATOM      5  H   LIG    1       -1.126   3.154  -0.585  0.00  0.00    +0.168 HD
ATOM      6  C   LIG    1       -0.450   1.219  -0.073  0.00  0.00    +0.195 A 
ATOM      7  C   LIG    1       -3.809   2.086  -1.035  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -4.866   1.176  -1.137  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -1.026   0.033   0.002  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -4.680  -0.181  -0.863  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -4.250  -2.753   0.442  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -4.048  -3.697   0.747  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -4.953  -2.239   0.954  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -3.222  -2.112  -0.199  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -2.210  -2.721  -0.514  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   6  16
ATOM     16  C   LIG    1        0.947   1.474   0.208  0.00  0.00    +0.280 C 
ATOM     17  N   LIG    1        1.647   0.347   0.573  0.00  0.00    -0.305 N 
ATOM     18  H   LIG    1        1.149  -0.532   0.438  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        1.458   2.587   0.113  0.00  0.00    -0.267 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.088   0.349   0.702  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        3.833   0.368  -0.645  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        4.715  -0.807  -0.640  0.00  0.00    -0.314 NA
ATOM     23  H   LIG    1        5.582  -0.613  -1.138  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1        4.966  -1.115   0.765  0.00  0.00    +0.083 C 
ATOM     25  C   LIG    1        3.609  -0.898   1.405  0.00  0.00    +0.038 C 
ENDBRANCH  17  20
ENDBRANCH   6  16
TORSDOF 3