REMARK  Name = BDB018156
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.979   0.042   1.196  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -1.543  -1.396   0.882  0.00  0.00    +0.198 C 
ATOM      3  C   LIG    1       -0.072  -1.361   1.273  0.00  0.00    +0.122 C 
ATOM      4  C   LIG    1        0.732  -2.535   0.739  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1        0.346   0.048   0.824  0.00  0.00    +0.192 C 
ATOM      6  O   LIG    1       -0.821   0.891   1.018  0.00  0.00    -0.344 OA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -7.364   0.812  -1.773  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1       -6.391   0.166  -0.837  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -5.078   0.617  -0.635  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -4.269   1.671  -1.137  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1       -3.036   1.580  -0.527  0.00  0.00    +0.091 A 
ATOM     12  N   LIG    1       -3.062   0.504   0.330  0.00  0.00    -0.303 N 
ATOM     13  C   LIG    1       -4.301  -0.093   0.272  0.00  0.00    +0.146 A 
ATOM     14  N   LIG    1       -4.675  -1.181   0.971  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1       -5.952  -1.520   0.708  0.00  0.00    +0.223 A 
ATOM     16  N   LIG    1       -6.812  -0.924  -0.139  0.00  0.00    -0.240 NA
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  O   LIG    1       -2.233  -2.393   1.643  0.00  0.00    -0.384 OA
ATOM     18  H   LIG    1       -3.192  -2.236   1.492  0.00  0.00    +0.210 HD
ENDBRANCH   2  17
BRANCH   3  19
ATOM     19  O   LIG    1        0.000  -1.425   2.715  0.00  0.00    -0.383 OA
ATOM     20  H   LIG    1       -0.608  -2.151   2.970  0.00  0.00    +0.210 HD
ENDBRANCH   3  19
BRANCH   5  21
ATOM     21  C   LIG    1        0.772   0.200  -0.645  0.00  0.00    +0.263 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.013  -0.438  -0.931  0.00  0.00    -0.489 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.175   0.240  -0.688  0.00  0.00    +0.123 A 
ATOM     24  C   LIG    1        4.335  -0.458  -1.045  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1        5.605   0.075  -0.866  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1        5.712   1.362  -0.302  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        6.994   1.898  -0.120  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        8.110   1.161  -0.493  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        7.905  -0.092  -1.039  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        4.555   2.070   0.061  0.00  0.00    +0.013 A 
ATOM     31  N   LIG    1        6.685  -0.641  -1.229  0.00  0.00    -0.255 NA
ATOM     32  C   LIG    1        3.290   1.510  -0.132  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 6