REMARK  Name = BDB016268
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.301   1.111  -0.665  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -1.459   0.645   0.012  0.00  0.00    +0.151 A 
ATOM      3  O   LIG    1       -1.218  -0.405   0.850  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -2.246  -1.337   1.148  0.00  0.00    +0.179 C 
ATOM      5  C   LIG    1       -3.271  -0.723   2.069  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -4.286   0.112   1.361  0.00  0.00    +0.221 C 
ATOM      7  N   LIG    1       -3.924   0.990   0.395  0.00  0.00    -0.282 N 
ATOM      8  H   LIG    1       -4.729   1.516   0.072  0.00  0.00    +0.155 HD
ATOM      9  O   LIG    1       -5.475   0.061   1.687  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -2.776  -2.089  -0.072  0.00  0.00    +0.052 C 
ATOM     11  C   LIG    1       -2.689   1.284  -0.209  0.00  0.00    +0.076 A 
ATOM     12  C   LIG    1       -2.743   2.347  -1.132  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -1.608   2.791  -1.808  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -0.389   2.175  -1.572  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  25
ATOM     15  C   LIG    1        1.321  -0.704  -2.735  0.00  0.00    +0.046 C 
ATOM     16  C   LIG    1        1.741  -0.306  -1.363  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1        2.961  -0.675  -0.714  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        2.949  -0.110   0.562  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1        4.007  -0.301   1.468  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        5.098  -1.073   1.060  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        5.136  -1.640  -0.209  0.00  0.00    +0.001 A 
ATOM     22  N   LIG    1        1.768   0.596   0.680  0.00  0.00    -0.343 N 
ATOM     23  C   LIG    1        1.389   1.348   1.859  0.00  0.00    +0.149 C 
ATOM     24  C   LIG    1        4.076  -1.449  -1.101  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        1.017   0.482  -0.474  0.00  0.00    +0.056 A 
ENDBRANCH   1  25
TORSDOF 1