REMARK  Name = BDB012493
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.314   0.150   1.114  0.00  0.00    -0.342 N 
ATOM      2  C   LIG    1        1.017  -0.223   1.017  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -0.234   0.351   0.481  0.00  0.00    +0.159 C 
ATOM      4  N   LIG    1       -1.191  -0.753   0.839  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.518  -1.856   1.453  0.00  0.00    +0.254 C 
ATOM      6  O   LIG    1       -0.962  -2.920   1.852  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        0.863  -1.468   1.546  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        2.117  -1.925   1.984  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1        2.420  -3.233   2.615  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1        3.010  -0.895   1.685  0.00  0.00    +0.090 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -2.572  -0.678   0.637  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -3.407  -1.719   0.836  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1       -4.771  -1.581   0.604  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1       -5.360  -0.410   0.167  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1       -6.656  -0.592   0.033  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1       -6.938  -1.891   0.383  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1       -4.522   0.728  -0.046  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1       -5.074   2.054  -0.505  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -5.809  -2.480   0.725  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1       -5.648  -3.881   1.172  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1       -3.194   0.581   0.189  0.00  0.00    +0.032 A 
ENDBRANCH   4  11
BRANCH   1  26
ATOM     22  C   LIG    1        6.400   2.202  -1.654  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1        5.978   2.459  -0.233  0.00  0.00    +0.213 C 
ATOM     24  N   LIG    1        4.666   2.178   0.045  0.00  0.00    -0.298 N 
ATOM     25  C   LIG    1        3.742   1.268  -0.618  0.00  0.00    +0.134 C 
ATOM     26  C   LIG    1        2.854   1.428   0.626  0.00  0.00    +0.122 C 
ATOM     27  C   LIG    1        4.083   1.974   1.368  0.00  0.00    +0.134 C 
ATOM     28  O   LIG    1        6.762   2.879   0.614  0.00  0.00    -0.276 OA
ENDBRANCH   1  26
BRANCH   3  29
ATOM     29  C   LIG    1       -0.139   0.627  -1.012  0.00  0.00    -0.021 A 
ATOM     30  C   LIG    1       -0.114   1.954  -1.477  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -0.002   2.231  -2.842  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        0.092   1.185  -3.756  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1        0.238   1.528  -5.435  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1        0.073  -0.136  -3.317  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1       -0.039  -0.414  -1.953  0.00  0.00    +0.007 A 
ENDBRANCH   3  29
TORSDOF 3