REMARK  Name = BDB018520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.735  -3.815  -2.526  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.893  -2.599  -1.744  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -4.142  -1.999  -1.666  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -5.161  -2.412  -2.213  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -4.210  -0.762  -0.852  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -3.127  -0.277  -0.215  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1       -1.834  -0.974  -0.326  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.788  -2.088  -1.086  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -3.343   0.986   0.522  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -4.089   1.002   1.710  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -4.284   2.196   2.405  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.736   3.383   1.919  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -2.994   3.378   0.739  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -2.798   2.185   0.042  0.00  0.00    +0.008 A 
ENDBRANCH   6   9
BRANCH   7  15
ATOM     15  C   LIG    1       -0.653  -0.507   0.343  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        0.608  -0.409  -0.205  0.00  0.00    +0.117 A 
ATOM     17  N   LIG    1        1.423   0.075   0.781  0.00  0.00    -0.265 N 
ATOM     18  N   LIG    1        0.775   0.272   1.949  0.00  0.00    -0.179 NA
ATOM     19  C   LIG    1       -0.487  -0.070   1.674  0.00  0.00    +0.143 A 
BRANCH  17  20
ATOM     20  C   LIG    1        2.848   0.368   0.701  0.00  0.00    +0.136 C 
ATOM     21  C   LIG    1        3.702  -0.901   0.550  0.00  0.00    +0.139 C 
ATOM     22  C   LIG    1        5.189  -0.569   0.752  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1        5.563   0.858   0.326  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1        4.663   1.401  -0.779  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        3.185   1.419  -0.372  0.00  0.00    +0.029 C 
BRANCH  21  26
ATOM     26  O   LIG    1        3.544  -1.464  -0.760  0.00  0.00    -0.390 OA
ATOM     27  H   LIG    1        4.034  -2.306  -0.776  0.00  0.00    +0.210 HD
ENDBRANCH  21  26
ENDBRANCH  17  20
ENDBRANCH   7  15
TORSDOF 4