REMARK  Name = BDB018906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.260  -2.634   0.344  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1        4.111  -1.762   0.372  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1        3.231  -2.214   0.172  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1        4.209  -0.506  -0.179  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1        3.039   0.246  -0.114  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1        2.085   0.049   0.978  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1        0.782   0.787   0.817  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        0.694   2.184   0.780  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -0.563   2.798   0.724  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -1.733   2.041   0.664  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -1.669   0.646   0.660  0.00  0.00    -0.015 A 
ATOM     12  O   LIG    1        1.728   3.074   0.792  0.00  0.00    -0.490 OA
ATOM     13  C   LIG    1        3.039   2.677   0.374  0.00  0.00    +0.248 C 
ATOM     14  C   LIG    1       -0.410   0.035   0.751  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        3.084   1.591  -0.702  0.00  0.00    +0.150 C 
ATOM     16  O   LIG    1        5.251  -0.098  -0.685  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.885  -0.159   0.590  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -3.400  -0.666  -0.625  0.00  0.00    +0.076 A 
ATOM     19  C   LIG    1       -4.557  -1.450  -0.664  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.741  -1.765  -2.026  0.00  0.00    +0.143 A 
ATOM     21  N   LIG    1       -3.801  -1.238  -2.807  0.00  0.00    -0.179 NA
ATOM     22  C   LIG    1       -5.245  -1.749   0.525  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -4.757  -1.252   1.734  0.00  0.00    +0.001 A 
ATOM     24  N   LIG    1       -3.007  -0.567  -1.945  0.00  0.00    -0.266 N 
ATOM     25  C   LIG    1       -1.881   0.158  -2.484  0.00  0.00    +0.173 C 
ATOM     26  C   LIG    1       -3.601  -0.475   1.762  0.00  0.00    +0.010 A 
ENDBRANCH  11  17
TORSDOF 1