REMARK  Name = BDB014825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.589  -0.622  -0.124  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1       -0.717   0.467  -0.083  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        0.673   0.288  -0.061  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        1.242  -0.993  -0.080  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        0.370  -2.088  -0.122  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.019  -1.905  -0.145  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.702  -1.180  -0.058  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        3.526  -0.537  -1.000  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        4.913  -0.713  -0.984  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        5.497  -1.526  -0.010  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        4.697  -2.193   0.918  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        3.310  -2.014   0.896  0.00  0.00    +0.009 A 
BRANCH  10  13
ATOM     13  C   LIG    1        6.961  -1.744   0.023  0.00  0.00    +0.247 C 
ATOM     14  N   LIG    1        7.805  -0.640   0.054  0.00  0.00    -0.293 N 
ATOM     15  C   LIG    1        9.249  -0.865   0.001  0.00  0.00    +0.136 C 
ATOM     16  C   LIG    1        9.985   0.407  -0.427  0.00  0.00    +0.179 C 
ATOM     17  O   LIG    1        9.739   1.537   0.424  0.00  0.00    -0.377 OA
ATOM     18  C   LIG    1        8.505   1.464   1.150  0.00  0.00    +0.179 C 
ATOM     19  C   LIG    1        7.395   0.729   0.390  0.00  0.00    +0.136 C 
ATOM     20  O   LIG    1        7.372  -2.902   0.021  0.00  0.00    -0.270 OA
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  N   LIG    1       -2.998  -0.507  -0.152  0.00  0.00    -0.298 N 
ATOM     22  H   LIG    1       -3.436  -1.419  -0.172  0.00  0.00    +0.154 HD
BRANCH  21  28
ATOM     23  C   LIG    1       -9.868  -1.128   0.142  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1       -8.396  -1.442   0.088  0.00  0.00    +0.213 C 
ATOM     25  N   LIG    1       -7.524  -0.387  -0.148  0.00  0.00    -0.297 N 
ATOM     26  C   LIG    1       -6.101  -0.753  -0.286  0.00  0.00    +0.148 C 
ATOM     27  C   LIG    1       -5.231   0.447  -0.179  0.00  0.00    +0.032 A 
ATOM     28  C   LIG    1       -3.816   0.575  -0.125  0.00  0.00    +0.150 A 
ATOM     29  N   LIG    1       -3.469   1.866  -0.052  0.00  0.00    -0.156 NA
ATOM     30  N   LIG    1       -4.627   2.547  -0.035  0.00  0.00    -0.269 N 
ATOM     31  C   LIG    1       -4.591   3.985   0.068  0.00  0.00    +0.172 C 
ATOM     32  C   LIG    1       -5.712   1.738  -0.134  0.00  0.00    +0.047 A 
ATOM     33  C   LIG    1       -7.145   2.108  -0.162  0.00  0.00    +0.074 C 
ATOM     34  C   LIG    1       -7.952   0.913  -0.714  0.00  0.00    +0.114 C 
ATOM     35  O   LIG    1       -8.003  -2.597   0.259  0.00  0.00    -0.276 OA
ENDBRANCH  21  28
ENDBRANCH   1  21
TORSDOF 4