REMARK  Name = BDB018798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.580  -0.046   1.547  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1        0.525  -0.031   0.630  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1        0.579   0.368  -0.813  0.00  0.00    +0.057 C 
ATOM      4  C   LIG    1       -0.844   0.063  -1.286  0.00  0.00    +0.118 C 
ATOM      5  N   LIG    1       -1.655  -0.250  -0.097  0.00  0.00    -0.269 N 
ATOM      6  C   LIG    1       -3.021  -0.504  -0.077  0.00  0.00    +0.241 C 
ATOM      7  O   LIG    1       -3.649  -0.816   0.938  0.00  0.00    -0.273 OA
ATOM      8  C   LIG    1       -0.783  -0.354   1.008  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1       -1.075  -0.709   2.314  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.037  -0.738   3.247  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        1.273  -0.409   2.868  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1        5.029  -0.205  -0.009  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        3.720  -0.536   0.357  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1        2.952   0.310   1.172  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1        3.531   1.504   1.623  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        4.837   1.841   1.263  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        5.585   0.990   0.447  0.00  0.00    +0.045 A 
BRANCH  12  19
ATOM     18  C   LIG    1        6.998  -0.862  -1.169  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        5.647  -1.125  -0.811  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  14
BRANCH   6  20
ATOM     20  C   LIG    1       -3.761  -0.311  -1.416  0.00  0.00    +0.170 C 
ATOM     21  N   LIG    1       -5.051  -1.065  -1.497  0.00  0.00    -0.258 N 
ATOM     22  C   LIG    1       -6.176  -0.129  -1.239  0.00  0.00    +0.117 C 
ATOM     23  C   LIG    1       -5.528   1.203  -0.889  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1       -4.183   1.148  -1.593  0.00  0.00    +0.034 C 
BRANCH  21  25
ATOM     25  C   LIG    1       -5.145  -2.398  -1.421  0.00  0.00    +0.170 C 
ATOM     26  N   LIG    1       -5.219  -3.552  -1.391  0.00  0.00    -0.174 NA
ENDBRANCH  21  25
ENDBRANCH   6  20
TORSDOF 4