REMARK  Name = BDB049063
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.788   0.813   0.134  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -0.034  -0.350  -0.043  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        1.361  -0.289  -0.181  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        2.064   0.924  -0.154  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.289   2.082   0.010  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -0.106   2.033   0.147  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.445   0.982  -0.290  0.00  0.00    -0.330 N 
ATOM      8  C   LIG    1        4.196   2.116   0.258  0.00  0.00    +0.107 C 
ATOM      9  C   LIG    1        5.600   1.676   0.655  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1        6.368   1.157  -0.564  0.00  0.00    +0.079 C 
ATOM     11  C   LIG    1        5.474   0.383  -1.546  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1        4.194  -0.125  -0.890  0.00  0.00    +0.107 C 
BRANCH  10  13
ATOM     13  N   LIG    1        7.575   0.404  -0.199  0.00  0.00    -0.298 N 
ATOM     14  C   LIG    1        8.690   0.373  -1.040  0.00  0.00    +0.216 C 
ATOM     15  O   LIG    1        8.890   1.083  -2.011  0.00  0.00    -0.276 OA
ATOM     16  C   LIG    1        9.592  -0.750  -0.587  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        9.025  -1.126   0.773  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1        7.559  -0.758   0.661  0.00  0.00    +0.108 C 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  22
ATOM     19  N   LIG    1       -4.358   0.239  -0.696  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1       -4.354  -0.433   0.608  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1       -2.935  -0.246   1.225  0.00  0.00    +0.079 C 
ATOM     22  C   LIG    1       -2.299   0.803   0.273  0.00  0.00    +0.051 C 
ATOM     23  C   LIG    1       -2.964   0.462  -1.066  0.00  0.00    +0.094 C 
BRANCH  21  24
ATOM     24  N   LIG    1       -2.978   0.072   2.675  0.00  0.00    -0.304 NA
ATOM     25  C   LIG    1       -3.524  -1.050   3.447  0.00  0.00    +0.104 C 
ATOM     26  C   LIG    1       -1.670   0.441   3.215  0.00  0.00    +0.104 C 
ENDBRANCH  21  24
BRANCH  19  27
ATOM     27  C   LIG    1       -5.137  -0.424  -1.741  0.00  0.00    +0.122 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -6.756  -2.945  -1.177  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -7.378  -1.576  -1.199  0.00  0.00    -0.043 A 
ATOM     30  C   LIG    1       -6.628  -0.410  -1.477  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -7.302   0.822  -1.522  0.00  0.00    +0.128 A 
ATOM     32  F   LIG    1       -6.633   1.943  -1.831  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -8.668   0.922  -1.277  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1       -9.399  -0.223  -0.985  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1       -8.759  -1.462  -0.951  0.00  0.00    +0.004 A 
ENDBRANCH  27  30
ENDBRANCH  19  27
ENDBRANCH   1  22
TORSDOF 6