REMARK  Name = BDB000158
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.808  -1.616  -1.049  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.531  -1.666  -1.368  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        1.663  -1.169  -0.586  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        2.873  -1.819  -1.263  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        2.453  -1.869  -2.730  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        0.963  -2.172  -2.660  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -1.668  -1.982  -1.859  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.786   0.372  -0.636  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        2.722   0.882   0.241  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        3.345   0.253   0.727  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        1.120   1.077  -1.389  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        3.083   2.282   0.230  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.364   2.483  -0.539  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        4.341   2.551  -1.940  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        5.526   2.708  -2.660  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.744   2.793  -1.989  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.779   2.720  -0.598  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.596   2.562   0.126  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  19
ATOM     19  C   LIG    1       -1.221  -1.115   0.356  0.00  0.00    +0.162 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -2.696   0.758   1.086  0.00  0.00    +0.230 C 
ATOM     21  N   LIG    1       -2.343  -0.206   0.174  0.00  0.00    -0.302 N 
ATOM     22  H   LIG    1       -2.960  -0.330  -0.630  0.00  0.00    +0.150 HD
ATOM     23  O   LIG    1       -2.057   0.973   2.113  0.00  0.00    -0.274 OA
BRANCH  20  24
ATOM     24  C   LIG    1       -3.936   1.577   0.658  0.00  0.00    +0.138 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.815   0.779  -0.229  0.00  0.00    -0.320 NA
ATOM     26  H   LIG    1       -5.623   1.346  -0.485  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1       -5.185  -0.013   0.298  0.00  0.00    +0.119 HD
ENDBRANCH  24  25
BRANCH  24  28
ATOM     28  C   LIG    1       -4.688   2.209   1.841  0.00  0.00    +0.027 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -4.928   0.138   3.351  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -5.619   1.298   2.653  0.00  0.00    -0.001 C 
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  20  24
ENDBRANCH  19  21
BRANCH  19  31
ATOM     31  C   LIG    1       -1.590  -2.267   1.328  0.00  0.00    +0.012 C 
ATOM     32  C   LIG    1       -2.724  -3.163   0.819  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -0.380  -3.126   1.697  0.00  0.00    +0.009 C 
ENDBRANCH  19  31
ENDBRANCH   1  19
TORSDOF 10