REMARK  Name = BDB017439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.520  -0.320  -0.719  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        0.149  -0.133   0.626  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.212  -0.089   0.950  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -2.224  -0.244   0.013  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -3.443  -0.145   0.758  0.00  0.00    +0.100 A 
ATOM      6  N   LIG    1       -3.192   0.086   2.059  0.00  0.00    -0.173 NA
ATOM      7  C   LIG    1       -1.861  -0.433  -1.333  0.00  0.00    +0.012 A 
ATOM      8  N   LIG    1       -1.854   0.109   2.139  0.00  0.00    -0.276 N 
ATOM      9  H   LIG    1       -1.432   0.272   3.045  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1       -0.499  -0.474  -1.673  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        6.497  -0.401   0.061  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        5.250  -0.485  -0.576  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        4.326   0.533  -0.398  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1        2.933   0.758  -0.915  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1        1.978  -0.402  -1.110  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1        2.544   2.103  -0.343  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1        3.603   2.528   0.444  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        3.597   3.416   0.922  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        1.508   2.708  -0.560  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1        2.507   0.371  -2.302  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1        4.665   1.623   0.414  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        5.879   1.741   1.054  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        6.805   0.709   0.871  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1        8.610  -1.436   0.423  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        7.326  -1.462  -0.186  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1       -4.819  -0.253   0.273  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -5.806   0.614   0.766  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1       -7.132   0.532   0.314  0.00  0.00    -0.022 A 
ATOM     29  C   LIG    1       -7.470  -0.450  -0.626  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1       -6.498  -1.324  -1.114  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -5.180  -1.227  -0.666  0.00  0.00    +0.010 A 
BRANCH  28  32
ATOM     32  C   LIG    1       -8.188   1.446   0.870  0.00  0.00    +0.191 C 
BRANCH  32  33
ATOM     33  O   LIG    1       -8.926   0.787   1.890  0.00  0.00    -0.390 OA
ATOM     34  H   LIG    1       -8.377   0.052   2.217  0.00  0.00    +0.210 HD
ENDBRANCH  32  33
ENDBRANCH  28  32
ENDBRANCH   5  26
TORSDOF 5