REMARK  Name = BDB018229
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.565   0.338  -1.010  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1        0.589  -0.369  -0.760  0.00  0.00    +0.117 A 
ATOM      3  N   LIG    1        1.566   0.221  -1.519  0.00  0.00    -0.264 N 
ATOM      4  N   LIG    1        1.102   1.245  -2.273  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1       -0.194   1.315  -1.954  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1  15
ATOM      6  C   LIG    1       -1.631   2.215   0.958  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1       -2.468   1.032   0.525  0.00  0.00    -0.033 A 
ATOM      8  C   LIG    1       -3.714   0.798   1.001  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1       -4.495   1.683   1.931  0.00  0.00    +0.049 C 
ATOM     10  C   LIG    1       -4.452  -0.452   0.593  0.00  0.00    +0.254 A 
ATOM     11  O   LIG    1       -5.580  -0.672   1.030  0.00  0.00    -0.267 OA
ATOM     12  N   LIG    1       -3.782  -1.306  -0.273  0.00  0.00    -0.317 N 
ATOM     13  C   LIG    1       -4.434  -2.529  -0.715  0.00  0.00    +0.152 C 
ATOM     14  C   LIG    1       -2.527  -1.018  -0.766  0.00  0.00    +0.097 A 
ATOM     15  C   LIG    1       -1.849   0.094  -0.428  0.00  0.00    +0.005 A 
ENDBRANCH   1  15
BRANCH   3  16
ATOM     16  C   LIG    1        2.981  -0.162  -1.608  0.00  0.00    +0.134 C 
ATOM     17  C   LIG    1        3.130  -1.475  -2.382  0.00  0.00    +0.038 C 
BRANCH  16  18
ATOM     18  C   LIG    1        3.637  -0.118  -0.233  0.00  0.00    -0.023 A 
ATOM     19  C   LIG    1        3.901   1.135   0.351  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        4.490   1.231   1.612  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.823   0.076   2.314  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.565  -1.173   1.756  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.975  -1.272   0.493  0.00  0.00    +0.006 A 
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 3