REMARK  Name = BDB000170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.118  -0.088  -0.533  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.390  -1.251  -0.440  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.809  -1.304   0.390  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        0.987  -2.792   0.703  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        0.377  -3.477  -0.517  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.801  -2.579  -0.865  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -0.782   0.925   0.092  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.050  -0.755  -0.358  0.00  0.00    +0.238 C 
ATOM      9  N   LIG    1        3.076  -0.418   0.518  0.00  0.00    -0.283 N 
ATOM     10  H   LIG    1        2.842  -0.464   1.497  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        2.095  -0.708  -1.585  0.00  0.00    -0.273 OA
BRANCH   9  12
ATOM     12  C   LIG    1        4.384   0.047   0.211  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1        5.277   0.389   1.281  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        6.584   0.843   0.953  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1        7.497   1.189   1.964  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        7.151   1.099   3.308  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        5.884   0.661   3.660  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        6.977   0.951  -0.386  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        6.103   0.617  -1.412  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        4.964   0.312   2.666  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        4.819   0.169  -1.115  0.00  0.00    +0.024 A 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  22
ATOM     22  C   LIG    1       -2.380  -0.074  -1.436  0.00  0.00    +0.164 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -4.177  -0.049   0.257  0.00  0.00    +0.230 C 
ATOM     24  N   LIG    1       -3.394   0.639  -0.651  0.00  0.00    -0.302 N 
ATOM     25  H   LIG    1       -3.147   1.587  -0.394  0.00  0.00    +0.150 HD
ATOM     26  O   LIG    1       -4.183  -1.276   0.342  0.00  0.00    -0.274 OA
BRANCH  23  27
ATOM     27  C   LIG    1       -5.002   0.862   1.196  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1       -4.170   1.105   2.455  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     29  C   LIG    1       -7.152   0.926   2.379  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1       -6.306   0.219   1.436  0.00  0.00    -0.309 NA
ATOM     31  H   LIG    1       -6.143  -0.742   1.746  0.00  0.00    +0.122 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH  22  24
BRANCH  22  32
ATOM     32  C   LIG    1       -2.142   0.591  -2.829  0.00  0.00    -0.011 C 
ATOM     33  C   LIG    1       -3.471   0.612  -3.616  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -1.128  -0.226  -3.652  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1       -1.622   2.038  -2.723  0.00  0.00    +0.013 C 
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 7