REMARK  Name = BDB016373
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.384   2.150  -0.673  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.639   1.065  -1.446  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.578   0.458  -0.665  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.786   1.089  -0.548  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.787  -0.328   0.476  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -3.988  -1.005   0.796  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -4.069  -1.756   1.988  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.983  -1.902   2.841  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -1.781  -1.299   2.513  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -5.187  -1.016   0.056  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.984  -1.464   0.492  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.518  -0.571  -1.178  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.686  -0.713  -1.554  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.658  -0.527   1.343  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -4.496   0.008  -2.098  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -0.335   0.068   1.065  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1        0.492  -0.456   0.060  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        1.746   0.103  -0.208  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        2.194   1.202   0.523  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        1.383   1.722   1.534  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        0.130   1.165   1.803  0.00  0.00    +0.012 A 
BRANCH  19  22
ATOM     22  O   LIG    1        3.395   1.837   0.372  0.00  0.00    -0.487 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.169   1.558  -0.798  0.00  0.00    +0.264 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.074   0.355  -0.652  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1        5.614  -0.007   0.590  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        6.471  -1.104   0.700  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.807  -1.843  -0.432  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.291  -1.484  -1.675  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.434  -0.388  -1.787  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  14  16
TORSDOF 4