REMARK  Name = BDB051898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.762   0.167   0.643  0.00  0.00    +0.217 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -2.091  -0.333   0.306  0.00  0.00    -0.337 N 
ATOM      3  C   LIG    1       -3.264   0.388   0.379  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -4.303  -0.496   0.068  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -5.627  -0.004   0.075  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -5.874   1.337   0.384  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.822   2.196   0.682  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.723  -1.778  -0.210  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -3.501   1.740   0.683  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -2.356  -1.634  -0.043  0.00  0.00    +0.098 A 
BRANCH   8  11
ATOM     11  C   LIG    1       -4.418  -3.010  -0.594  0.00  0.00    +0.162 C 
ATOM     12  O   LIG    1       -5.646  -3.073  -0.654  0.00  0.00    -0.292 OA
ATOM     13  C   LIG    1       -3.589  -4.230  -0.914  0.00  0.00    +0.091 C 
ENDBRANCH   8  11
ENDBRANCH   1   2
BRANCH   1  18
ATOM     14  C   LIG    1        4.253   1.577  -0.066  0.00  0.00    +0.101 C 
ATOM     15  C   LIG    1        3.611   1.011  -1.336  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        2.160   1.450  -1.478  0.00  0.00    +0.108 C 
ATOM     17  N   LIG    1        1.353   1.020  -0.336  0.00  0.00    -0.300 N 
ATOM     18  C   LIG    1        0.012   0.691  -0.557  0.00  0.00    +0.235 C 
ATOM     19  O   LIG    1       -0.501   0.817  -1.669  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1        2.011   0.956   0.970  0.00  0.00    +0.108 C 
ATOM     21  C   LIG    1        3.236   1.863   1.050  0.00  0.00    +0.033 C 
BRANCH  14  22
ATOM     22  C   LIG    1        5.371   0.659   0.390  0.00  0.00    +0.310 C 
ATOM     23  O   LIG    1        6.547   0.835   0.102  0.00  0.00    -0.251 OA
BRANCH  22  25
ATOM     24  C   LIG    1        5.902  -1.317   1.526  0.00  0.00    +0.280 C 
ATOM     25  O   LIG    1        4.893  -0.396   1.105  0.00  0.00    -0.468 OA
ENDBRANCH  22  25
ENDBRANCH  14  22
ENDBRANCH   1  18
TORSDOF 5