REMARK  Name = BDB061392
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.378   3.615  -0.880  0.00  0.00    +0.088 C 
ATOM      2  C   LIG    1        2.083   2.925  -0.578  0.00  0.00    +0.130 A 
ATOM      3  N   LIG    1        1.194   3.602   0.171  0.00  0.00    -0.215 NA
ATOM      4  C   LIG    1        0.067   2.905   0.363  0.00  0.00    +0.144 A 
ATOM      5  C   LIG    1       -0.233   1.641  -0.120  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1       -1.535   1.319   0.382  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -1.981   2.402   1.118  0.00  0.00    +0.093 A 
ATOM      8  C   LIG    1        0.749   1.026  -0.921  0.00  0.00    +0.132 A 
ATOM      9  N   LIG    1       -0.997   3.356   1.093  0.00  0.00    -0.345 N 
ATOM     10  H   LIG    1       -1.021   4.256   1.549  0.00  0.00    +0.167 HD
ATOM     11  N   LIG    1        1.909   1.700  -1.122  0.00  0.00    -0.217 NA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -2.306   0.101   0.256  0.00  0.00    -0.011 A 
ATOM     13  C   LIG    1       -1.873  -1.065   0.888  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1       -2.614  -2.223   0.725  0.00  0.00    +0.117 A 
ATOM     15  N   LIG    1       -3.728  -2.276  -0.023  0.00  0.00    -0.241 NA
ATOM     16  C   LIG    1       -4.134  -1.132  -0.619  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1       -3.466   0.073  -0.510  0.00  0.00    +0.028 A 
BRANCH  14  18
ATOM     18  N   LIG    1       -2.197  -3.420   1.302  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1       -2.049  -3.319   2.299  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -2.915  -4.111   1.094  0.00  0.00    +0.144 HD
ENDBRANCH  14  18
ENDBRANCH   6  12
BRANCH   8  21
ATOM     21  N   LIG    1        0.559  -0.211  -1.541  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1       -0.274  -0.679  -1.203  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.722  -1.088  -1.536  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.000  -1.772  -0.236  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        2.880  -1.364   0.746  0.00  0.00    +0.200 A 
ATOM     26  O   LIG    1        2.862  -2.222   1.798  0.00  0.00    -0.471 OA
ATOM     27  C   LIG    1        1.961  -3.192   1.499  0.00  0.00    +0.195 A 
ATOM     28  C   LIG    1        1.400  -2.962   0.265  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 5