REMARK  Name = BDB049268
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.114  -0.880  -0.605  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        0.384   0.234  -1.355  0.00  0.00    +0.170 A 
ATOM      3  N   LIG    1        1.711   0.215  -1.767  0.00  0.00    -0.268 N 
ATOM      4  C   LIG    1        1.882   1.415  -2.409  0.00  0.00    +0.231 A 
ATOM      5  N   LIG    1        0.758   2.092  -2.430  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.620  -0.841  -1.513  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1        2.134  -1.899  -0.816  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1       -0.185   1.350  -1.764  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.742  -1.900  -0.365  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.184  -1.189   0.790  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -3.115  -1.461   1.654  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -1.793  -1.359   1.209  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.510  -0.997  -0.117  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -2.582  -0.722  -0.977  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.904  -0.821  -0.531  0.00  0.00    +0.005 A 
BRANCH  10  16
ATOM     16  C   LIG    1       -5.615  -1.308   1.272  0.00  0.00    +0.119 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -5.865   0.937   2.162  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1       -5.903  -0.496   2.469  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1       -7.216  -0.851   3.010  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        3.927  -0.747  -2.014  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        4.012  -0.092  -2.790  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        5.100  -0.621  -1.141  0.00  0.00    +0.138 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.374   0.840  -0.885  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        4.761   1.502   0.189  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.973   2.866   0.394  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.798   3.581  -0.472  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.411   2.936  -1.544  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.198   1.572  -1.752  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
BRANCH   7  29
ATOM     29  C   LIG    1        2.925  -3.051  -0.525  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        3.556  -3.988  -0.256  0.00  0.00    -0.191 NA
ENDBRANCH   7  29
TORSDOF 7