REMARK  Name = BDB063021
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.203  -0.680  -0.906  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1       -0.566   0.419  -1.314  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1       -1.922   0.497  -0.988  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -2.532  -0.529  -0.257  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1       -1.772  -1.632   0.148  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -0.417  -1.708  -0.179  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.959  -0.442   0.096  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -4.930  -0.937  -0.712  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1       -6.360  -0.790  -0.245  0.00  0.00    +0.279 A 
ATOM     10  O   LIG    1       -7.338  -1.185  -0.867  0.00  0.00    -0.265 OA
ATOM     11  N   LIG    1       -6.513  -0.146   0.996  0.00  0.00    -0.179 N 
ATOM     12  C   LIG    1       -5.474   0.335   1.769  0.00  0.00    +0.156 A 
ATOM     13  C   LIG    1       -6.041   0.886   2.892  0.00  0.00    +0.114 A 
ATOM     14  C   LIG    1       -7.424   0.700   2.723  0.00  0.00    +0.156 A 
ATOM     15  N   LIG    1       -7.726   0.077   1.579  0.00  0.00    -0.169 NA
ATOM     16  N   LIG    1       -4.215   0.180   1.307  0.00  0.00    -0.338 N 
ATOM     17  H   LIG    1       -3.393   0.501   1.821  0.00  0.00    +0.167 HD
BRANCH   8  18
ATOM     18  C   LIG    1       -4.700  -1.630  -2.048  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1       -5.315  -0.859  -3.220  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1       -5.161  -3.090  -2.037  0.00  0.00    +0.012 C 
ENDBRANCH   8  18
BRANCH  13  21
ATOM     21  C   LIG    1       -5.371   1.507   3.980  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -4.815   2.014   4.864  0.00  0.00    -0.191 NA
ENDBRANCH  13  21
ENDBRANCH   4   7
BRANCH   1  23
ATOM     23  C   LIG    1        1.670  -0.777  -1.277  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  N   LIG    1        2.553  -1.015  -0.130  0.00  0.00    -0.301 NA
ATOM     25  C   LIG    1        3.871  -1.469  -0.554  0.00  0.00    +0.105 C 
BRANCH  24  26
ATOM     26  C   LIG    1        2.591   0.062   0.869  0.00  0.00    +0.084 C 
BRANCH  26  27
ATOM     27  C   LIG    1        2.749   1.527   0.423  0.00  0.00    +0.015 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.053   1.917  -0.273  0.00  0.00    +0.001 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.297   1.691   0.588  0.00  0.00    +0.000 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.562   2.157  -0.138  0.00  0.00    -0.000 C 
BRANCH  30  32
ATOM     31  C   LIG    1        8.204   0.598   1.040  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1        7.829   2.035   0.713  0.00  0.00    -0.003 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 11