REMARK  Name = BDB017389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.422  -1.334   0.474  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1        1.082  -0.786  -0.072  0.00  0.00    +0.238 C 
ATOM      3  O   LIG    1        0.717   0.356   0.257  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        0.326  -1.516  -0.958  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1        0.384  -2.901  -1.377  0.00  0.00    +0.145 C 
ATOM      6  C   LIG    1       -0.126  -2.807  -2.818  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -1.267  -1.798  -2.712  0.00  0.00    +0.035 C 
ATOM      8  N   LIG    1        1.714  -3.448  -1.306  0.00  0.00    -0.298 NA
ATOM      9  H   LIG    1        1.908  -4.013  -2.132  0.00  0.00    +0.124 HD
ATOM     10  C   LIG    1        1.911  -4.292  -0.122  0.00  0.00    +0.082 C 
ATOM     11  C   LIG    1        1.508  -3.656   1.210  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1       -0.851  -0.883  -1.551  0.00  0.00    +0.163 C 
ATOM     13  C   LIG    1        2.272  -2.387   1.572  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1        4.492  -0.103   1.164  0.00  0.00    +0.230 C 
ATOM     15  N   LIG    1        3.127  -0.164   1.025  0.00  0.00    -0.303 N 
ATOM     16  H   LIG    1        2.542   0.643   1.220  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        5.219  -1.063   0.910  0.00  0.00    -0.274 OA
BRANCH  14  18
ATOM     18  C   LIG    1        5.037   1.232   1.743  0.00  0.00    +0.137 C 
ATOM     19  C   LIG    1        4.480   2.467   1.036  0.00  0.00    +0.034 C 
BRANCH  18  21
ATOM     20  C   LIG    1        7.157   1.420   0.492  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1        6.523   1.208   1.789  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1        6.785   0.268   2.106  0.00  0.00    +0.122 HD
ENDBRANCH  18  21
ENDBRANCH  14  18
ENDBRANCH   1  15
BRANCH  12  23
ATOM     23  C   LIG    1       -1.998  -0.816  -0.523  0.00  0.00    +0.234 C 
ATOM     24  N   LIG    1       -2.792   0.303  -0.645  0.00  0.00    -0.307 N 
ATOM     25  H   LIG    1       -2.427   1.096  -1.157  0.00  0.00    +0.149 HD
ATOM     26  O   LIG    1       -2.226  -1.718   0.281  0.00  0.00    -0.274 OA
BRANCH  24  27
ATOM     27  C   LIG    1       -3.861   0.584   0.302  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1       -4.828   1.565  -0.334  0.00  0.00    -0.024 A 
ATOM     29  C   LIG    1       -4.852   2.925   0.031  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -5.750   3.794  -0.608  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -6.602   3.328  -1.611  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.572   1.987  -1.982  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.985   3.464   1.142  0.00  0.00    +0.035 C 
ATOM     34  C   LIG    1       -2.824   2.545   1.512  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1       -5.689   1.112  -1.349  0.00  0.00    +0.006 A 
ATOM     36  C   LIG    1       -3.302   1.102   1.638  0.00  0.00    +0.027 C 
ENDBRANCH  24  27
ENDBRANCH  12  23
TORSDOF 5