REMARK  Name = BDB016471
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.261   4.470  -0.659  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -2.758   3.110  -0.269  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1       -1.401   2.801  -0.237  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -0.343   3.801  -0.602  0.00  0.00    +0.049 C 
ATOM      5  C   LIG    1       -1.078   1.487   0.108  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1       -2.016   0.590   0.448  0.00  0.00    -0.213 NA
ATOM      7  C   LIG    1       -3.296   0.988   0.401  0.00  0.00    +0.162 A 
ATOM      8  N   LIG    1       -3.711   2.217   0.061  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -4.319   0.031   0.824  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -4.816  -1.021   0.015  0.00  0.00    -0.034 A 
ATOM     11  C   LIG    1       -5.785  -1.893   0.565  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -6.270  -1.728   1.862  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -5.798  -0.688   2.647  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.835   0.178   2.132  0.00  0.00    +0.012 A 
BRANCH  10  15
ATOM     15  C   LIG    1       -4.383  -1.313  -1.421  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -4.344  -0.103  -2.357  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -3.070  -2.097  -1.468  0.00  0.00    +0.012 C 
ENDBRANCH  10  15
ENDBRANCH   7   9
BRANCH   5  18
ATOM     18  N   LIG    1        0.274   1.101   0.145  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        0.721   1.330  -0.737  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        0.510  -0.291   0.508  0.00  0.00    +0.138 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.997  -0.562   0.444  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        2.859  -0.011   1.401  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        4.235  -0.247   1.339  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        4.790  -1.037   0.320  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1        3.919  -1.581  -0.638  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        2.541  -1.345  -0.581  0.00  0.00    +0.006 A 
BRANCH  24  27
ATOM     27  C   LIG    1        6.240  -1.286   0.256  0.00  0.00    -0.018 A 
ATOM     28  C   LIG    1        7.158  -0.222   0.261  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        8.534  -0.458   0.199  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        9.017  -1.762   0.132  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.124  -2.831   0.126  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        6.748  -2.594   0.187  0.00  0.00    +0.008 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   5  18
TORSDOF 6