REMARK  Name = BDB016046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.343  -0.964   0.789  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1       -0.758   0.096  -0.019  0.00  0.00    +0.067 A 
ATOM      3  C   LIG    1        0.264   0.858  -0.562  0.00  0.00    +0.127 A 
ATOM      4  N   LIG    1        1.577   0.622  -0.383  0.00  0.00    -0.235 NA
ATOM      5  C   LIG    1        1.883  -0.420   0.404  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1        0.966  -1.212   0.993  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        3.312  -0.719   0.636  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        4.331   0.084   0.079  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        5.694  -0.185   0.285  0.00  0.00    -0.014 A 
ATOM     10  C   LIG    1        6.050  -1.284   1.076  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        5.067  -2.094   1.642  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.717  -1.812   1.423  0.00  0.00    +0.011 A 
BRANCH   9  13
ATOM     13  C   LIG    1        6.726   0.657  -0.298  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        6.596   1.397  -1.456  0.00  0.00    +0.116 A 
ATOM     15  N   LIG    1        7.791   2.026  -1.650  0.00  0.00    -0.274 N 
ATOM     16  C   LIG    1        8.139   2.915  -2.731  0.00  0.00    +0.172 C 
ATOM     17  N   LIG    1        8.705   1.745  -0.704  0.00  0.00    -0.179 NA
ATOM     18  C   LIG    1        8.055   0.915   0.117  0.00  0.00    +0.142 A 
ENDBRANCH   9  13
ENDBRANCH   5   7
BRANCH   2  19
ATOM     19  C   LIG    1       -2.138   0.481  -0.309  0.00  0.00    +0.137 A 
ATOM     20  S   LIG    1       -3.376  -0.674  -0.636  0.00  0.00    -0.050 S 
ATOM     21  C   LIG    1       -4.447   0.641  -0.904  0.00  0.00    +0.106 A 
ATOM     22  N   LIG    1       -3.880   1.822  -0.782  0.00  0.00    -0.146 NA
ATOM     23  N   LIG    1       -2.545   1.728  -0.457  0.00  0.00    -0.141 NA
BRANCH  21  24
ATOM     24  C   LIG    1       -5.895   0.413  -1.247  0.00  0.00    +0.049 C 
ATOM     25  C   LIG    1       -6.781   0.774  -0.042  0.00  0.00    +0.025 C 
ATOM     26  C   LIG    1       -8.197   1.118  -0.488  0.00  0.00    +0.081 C 
ATOM     27  N   LIG    1       -8.259   2.242  -1.420  0.00  0.00    -0.316 NA
ATOM     28  H   LIG    1       -8.526   3.095  -0.927  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1       -7.018   2.491  -2.155  0.00  0.00    +0.081 C 
ATOM     30  C   LIG    1       -6.295   1.196  -2.510  0.00  0.00    +0.025 C 
ENDBRANCH  21  24
ENDBRANCH   2  19
BRANCH   1  31
ATOM     31  N   LIG    1       -1.283  -1.748   1.471  0.00  0.00    -0.326 N 
ATOM     32  H   LIG    1       -2.013  -2.049   0.831  0.00  0.00    +0.148 HD
BRANCH  31  34
ATOM     33  C   LIG    1       -0.130  -2.350   3.600  0.00  0.00    +0.027 C 
ATOM     34  C   LIG    1       -0.894  -2.838   2.373  0.00  0.00    +0.066 C 
ATOM     35  C   LIG    1       -0.202  -3.989   1.649  0.00  0.00    +0.027 C 
ENDBRANCH  31  34
ENDBRANCH   1  31
TORSDOF 6