REMARK  Name = BDB022017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.091  -3.229   1.138  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1       -1.045  -3.015   0.121  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1       -2.133  -2.079   0.634  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1       -1.533  -0.919   1.287  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -1.983   0.393   1.120  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1       -1.697   1.306   1.892  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -0.727  -1.196   2.473  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -0.207  -2.633   2.520  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -2.821   0.711  -0.059  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -4.152   1.145   0.095  0.00  0.00    -0.038 A 
ATOM     11  C   LIG    1       -4.780   1.299   1.453  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -4.893   1.452  -1.056  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -4.320   1.330  -2.326  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -2.997   0.907  -2.465  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -2.242   0.604  -1.333  0.00  0.00    +0.013 A 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     16  N   LIG    1        1.486  -1.432   0.224  0.00  0.00    -0.282 N 
ATOM     17  H   LIG    1        0.640  -0.874   0.326  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1        1.446  -2.756   0.604  0.00  0.00    +0.220 C 
ATOM     19  O   LIG    1        2.387  -3.547   0.564  0.00  0.00    -0.275 OA
BRANCH  16  23
ATOM     20  C   LIG    1        4.666   0.894  -1.302  0.00  0.00    +0.124 A 
ATOM     21  C   LIG    1        3.411   1.458  -1.065  0.00  0.00    +0.093 A 
ATOM     22  C   LIG    1        2.372   0.669  -0.551  0.00  0.00    +0.145 A 
ATOM     23  C   LIG    1        2.582  -0.701  -0.288  0.00  0.00    +0.076 A 
ATOM     24  C   LIG    1        3.837  -1.256  -0.532  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        4.870  -0.460  -1.034  0.00  0.00    +0.047 A 
BRANCH  20  27
ATOM     26  C   LIG    1        5.641   2.947  -2.018  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        5.764   1.547  -1.794  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
BRANCH  22  28
ATOM     28  O   LIG    1        1.101   1.135  -0.295  0.00  0.00    -0.493 OA
ATOM     29  C   LIG    1        0.965   2.541  -0.115  0.00  0.00    +0.277 C 
ENDBRANCH  22  28
ENDBRANCH  16  23
ENDBRANCH   1  18
TORSDOF 5