REMARK  Name = BDB012854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.721   0.975   0.125  0.00  0.00    -0.007 C 
ATOM      2  C   LIG    1       -0.067  -0.204  -0.341  0.00  0.00    +0.145 C 
ATOM      3  N   LIG    1       -1.438   0.279  -0.283  0.00  0.00    -0.288 N 
ATOM      4  C   LIG    1       -2.475  -0.628  -0.421  0.00  0.00    +0.265 C 
ATOM      5  O   LIG    1       -2.247  -1.823  -0.601  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -1.527   1.609   0.301  0.00  0.00    +0.136 C 
ATOM      7  C   LIG    1       -0.099   1.974   0.485  0.00  0.00    -0.001 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.669   3.546   1.136  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        4.088   2.248   0.663  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1        2.740   2.161   0.595  0.00  0.00    -0.252 NA
ATOM     11  C   LIG    1        2.186   0.998   0.178  0.00  0.00    +0.069 A 
ATOM     12  C   LIG    1        2.961  -0.101  -0.178  0.00  0.00    +0.036 A 
ATOM     13  C   LIG    1        4.354  -0.006  -0.110  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1        4.923   1.193   0.321  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1        5.182  -1.143  -0.474  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        6.446  -1.065  -1.023  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1        6.857  -2.351  -1.227  0.00  0.00    -0.274 N 
ATOM     18  C   LIG    1        8.114  -2.784  -1.788  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1        5.950  -3.269  -0.852  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1        4.932  -2.534  -0.396  0.00  0.00    +0.142 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1       -3.822  -0.126  -0.336  0.00  0.00    +0.121 A 
ATOM     22  N   LIG    1       -4.303   0.987  -0.965  0.00  0.00    -0.272 N 
ATOM     23  H   LIG    1       -3.803   1.611  -1.589  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1       -5.595   1.247  -0.713  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1       -5.994   0.209   0.033  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1       -4.925  -0.685   0.279  0.00  0.00    +0.057 A 
BRANCH  25  27
ATOM     27  C   LIG    1       -7.422   0.110   0.490  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1       -7.527   0.135   2.016  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1       -8.108  -1.135  -0.075  0.00  0.00    +0.014 C 
ENDBRANCH  25  27
ENDBRANCH   4  21
TORSDOF 4