REMARK  Name = BDB048247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.152   1.212  -0.120  0.00  0.00    +0.170 A 
ATOM      2  C   LIG    1       -0.273   0.072  -0.134  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -0.962  -1.139  -0.073  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -0.387  -2.379  -0.054  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1       -1.383  -3.350   0.009  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -1.252  -4.349   0.033  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -2.620  -2.732   0.027  0.00  0.00    +0.257 A 
ATOM      8  O   LIG    1       -3.720  -3.240   0.075  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1        0.975  -2.533  -0.094  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1        1.770  -1.375  -0.164  0.00  0.00    -0.015 A 
ATOM     11  C   LIG    1        3.165  -1.520  -0.211  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        3.999  -0.408  -0.288  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        3.442   0.858  -0.324  0.00  0.00    +0.117 A 
ATOM     14  C   LIG    1        2.060   1.036  -0.276  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1       -2.328  -1.285  -0.027  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1       -3.173  -0.200  -0.045  0.00  0.00    +0.063 A 
ATOM     17  C   LIG    1        1.175  -0.062  -0.191  0.00  0.00    -0.003 A 
ATOM     18  C   LIG    1       -2.571   1.059  -0.101  0.00  0.00    +0.160 A 
ENDROOT
BRANCH   1  20
ATOM     19  C   LIG    1       -0.970   3.318   0.881  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -0.577   2.460  -0.190  0.00  0.00    -0.491 OA
ENDBRANCH   1  20
BRANCH  13  21
ATOM     21  O   LIG    1        4.292   1.921  -0.410  0.00  0.00    -0.507 OA
ATOM     22  H   LIG    1        3.764   2.735  -0.467  0.00  0.00    +0.292 HD
ENDBRANCH  13  21
BRANCH  18  23
ATOM     23  O   LIG    1       -3.370   2.170  -0.155  0.00  0.00    -0.503 OA
ATOM     24  H   LIG    1       -4.298   1.895  -0.251  0.00  0.00    +0.292 HD
ENDBRANCH  18  23
TORSDOF 3