REMARK  Name = BDB051285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.490   1.867   0.067  0.00  0.00    +0.149 A 
ATOM      2  N   LIG    1       -2.109   0.799   0.622  0.00  0.00    -0.160 NA
ATOM      3  N   LIG    1       -3.333   0.802   0.050  0.00  0.00    -0.215 N 
ATOM      4  C   LIG    1       -3.506   1.831  -0.844  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1       -4.687   1.999  -1.528  0.00  0.00    -0.307 N 
ATOM      6  H   LIG    1       -4.813   2.758  -2.188  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1       -5.746   1.133  -1.336  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1       -5.554   0.016  -0.362  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1       -6.590  -0.892  -0.127  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -6.405  -1.936   0.785  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.190  -2.076   1.463  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -4.148  -1.176   1.236  0.00  0.00    +0.028 A 
ATOM     13  O   LIG    1       -6.803   1.274  -1.940  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -4.340  -0.136   0.324  0.00  0.00    +0.080 A 
ATOM     15  C   LIG    1       -2.334   2.539  -0.859  0.00  0.00    +0.081 A 
ENDROOT
BRANCH   1  17
ATOM     16  O   LIG    1        0.473   3.187  -0.085  0.00  0.00    -0.268 OA
ATOM     17  C   LIG    1       -0.109   2.232   0.418  0.00  0.00    +0.264 C 
ATOM     18  N   LIG    1        0.456   1.392   1.351  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -0.137   0.631   1.673  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.808   1.531   1.837  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.773   0.542   1.180  0.00  0.00    +0.034 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.043   0.877  -0.295  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.023   0.028  -0.981  0.00  0.00    -0.298 NA
ATOM     24  C   LIG    1        3.564  -1.349  -1.219  0.00  0.00    +0.112 C 
ATOM     25  C   LIG    1        4.733  -2.252  -1.642  0.00  0.00    +0.175 C 
ATOM     26  O   LIG    1        5.733  -2.384  -0.621  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1        5.808  -1.245   0.248  0.00  0.00    +0.175 C 
ATOM     28  C   LIG    1        5.385   0.071  -0.426  0.00  0.00    +0.112 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 5