REMARK  Name = BDB016697
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.631  -0.071  -2.756  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        0.873  -1.238  -2.971  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.371  -1.357  -2.340  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -0.911  -0.371  -1.525  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -2.175  -0.890  -1.097  0.00  0.00    +0.100 A 
ATOM      6  N   LIG    1       -2.380  -2.123  -1.592  0.00  0.00    -0.173 NA
ATOM      7  C   LIG    1       -0.162   0.800  -1.313  0.00  0.00    +0.012 A 
ATOM      8  N   LIG    1       -1.296  -2.363  -2.345  0.00  0.00    -0.276 N 
ATOM      9  H   LIG    1       -1.241  -3.247  -2.836  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1        1.088   0.933  -1.938  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        4.086  -0.412   1.208  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        3.739  -0.590  -0.140  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        4.373   0.166  -1.114  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1        4.260   0.231  -2.611  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1        2.979   0.119  -3.413  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1        5.303   1.249  -3.013  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1        5.894   1.708  -1.849  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        6.630   2.395  -1.847  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        5.555   1.587  -4.157  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1        4.003  -0.998  -3.435  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1        5.363   1.079  -0.721  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        5.732   1.279   0.592  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        5.077   0.520   1.567  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1        3.655  -1.042   3.464  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        3.390  -1.210   2.077  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1       -3.173  -0.258  -0.233  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -3.839  -1.016   0.740  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -4.801  -0.433   1.581  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -5.468  -1.271   2.647  0.00  0.00    +0.116 C 
ATOM     30  N   LIG    1       -6.725  -0.694   3.146  0.00  0.00    -0.312 NA
ATOM     31  H   LIG    1       -7.399  -0.716   2.380  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -6.500   0.703   3.536  0.00  0.00    +0.086 C 
ATOM     33  C   LIG    1       -6.133   1.578   2.330  0.00  0.00    +0.050 C 
ATOM     34  C   LIG    1       -5.084   0.938   1.454  0.00  0.00    -0.042 A 
ATOM     35  C   LIG    1       -4.437   1.693   0.469  0.00  0.00    +0.004 A 
ATOM     36  C   LIG    1       -3.490   1.099  -0.368  0.00  0.00    +0.010 A 
ENDBRANCH   5  26
TORSDOF 3