REMARK  Name = BDB051339
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.059  -2.453  -2.169  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        3.458  -1.538  -1.614  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        4.090  -0.477  -0.873  0.00  0.00    +0.112 A 
ATOM      4  N   LIG    1        3.360   0.524  -0.270  0.00  0.00    -0.310 N 
ATOM      5  C   LIG    1        4.226   1.387   0.359  0.00  0.00    +0.092 A 
ATOM      6  C   LIG    1        5.514   0.935   0.157  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        1.951   0.568  -0.344  0.00  0.00    +0.070 A 
ATOM      8  C   LIG    1        1.324  -0.460  -1.063  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -0.066  -0.484  -1.179  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -0.838   0.523  -0.580  0.00  0.00    -0.032 A 
ATOM     11  C   LIG    1       -0.195   1.543   0.142  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.197   1.572   0.263  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        5.428  -0.242  -0.621  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1        2.083  -1.472  -1.670  0.00  0.00    -0.319 N 
ATOM     15  H   LIG    1        1.635  -2.215  -2.189  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -2.346   0.507  -0.689  0.00  0.00    +0.116 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -2.957   0.170   0.596  0.00  0.00    -0.309 NA
ATOM     18  H   LIG    1       -2.572  -0.717   0.921  0.00  0.00    +0.123 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -4.419   0.126   0.525  0.00  0.00    +0.054 C 
ATOM     20  C   LIG    1       -5.118  -1.149   0.148  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -5.174  -0.654   1.564  0.00  0.00    +0.020 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  10  16
TORSDOF 3