REMARK  Name = BDB049377
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.432  -0.869   1.662  0.00  0.00    +0.111 A 
ATOM      2  N   LIG    1        0.080  -0.149   0.539  0.00  0.00    -0.326 N 
ATOM      3  C   LIG    1       -1.257  -0.374   0.288  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -1.655  -1.232   1.306  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1       -2.985  -1.675   1.363  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -3.890  -1.234   0.386  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1       -3.462  -0.368  -0.630  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -2.137   0.081  -0.701  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1       -0.610  -1.522   2.141  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -5.268  -1.677   0.419  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -6.134  -1.485   1.474  0.00  0.00    +0.142 A 
ATOM     12  C   LIG    1       -6.032  -0.853   2.803  0.00  0.00    +0.090 C 
ATOM     13  O   LIG    1       -7.348  -2.013   1.156  0.00  0.00    -0.359 OA
ATOM     14  N   LIG    1       -7.303  -2.553  -0.115  0.00  0.00    -0.083 NA
ATOM     15  C   LIG    1       -6.053  -2.353  -0.552  0.00  0.00    +0.088 A 
ATOM     16  C   LIG    1       -5.654  -2.830  -1.896  0.00  0.00    +0.070 C 
ENDBRANCH   6  10
BRANCH   1  17
ATOM     17  C   LIG    1        1.805  -0.913   2.260  0.00  0.00    +0.079 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.526  -2.229   1.949  0.00  0.00    +0.046 C 
BRANCH  18  20
ATOM     19  C   LIG    1        4.042  -1.712  -0.037  0.00  0.00    +0.123 A 
ATOM     20  C   LIG    1        2.919  -2.375   0.493  0.00  0.00    -0.005 A 
ATOM     21  C   LIG    1        2.121  -3.165  -0.352  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        2.437  -3.304  -1.701  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.553  -2.655  -2.220  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        4.353  -1.861  -1.393  0.00  0.00    +0.046 A 
BRANCH  19  26
ATOM     25  C   LIG    1        5.880  -0.239   0.342  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        4.750  -0.939   0.846  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   2  27
ATOM     27  C   LIG    1        0.940   0.711  -0.255  0.00  0.00    +0.139 C 
BRANCH  27  28
ATOM     28  C   LIG    1        0.890   2.166   0.234  0.00  0.00    +0.106 C 
BRANCH  28  29
ATOM     29  N   LIG    1        1.792   3.050  -0.523  0.00  0.00    -0.296 NA
ATOM     30  C   LIG    1        2.061   4.291   0.238  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1        2.591   5.410  -0.671  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1        1.637   5.818  -1.661  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1        0.707   4.786  -2.007  0.00  0.00    +0.175 C 
ATOM     34  C   LIG    1        1.298   3.371  -1.881  0.00  0.00    +0.112 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 8