REMARK  Name = BDB012430
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.174  -3.190  -2.475  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        2.822  -2.208  -1.424  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        1.568  -1.695  -1.096  0.00  0.00    +0.083 A 
ATOM      4  C   LIG    1        0.174  -1.731  -1.411  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1       -0.447  -0.825  -0.491  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.570  -0.170   0.417  0.00  0.00    +0.161 C 
ATOM      7  O   LIG    1       -0.307  -2.434  -2.282  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        1.779  -0.830  -0.073  0.00  0.00    +0.077 A 
ATOM      9  N   LIG    1        3.096  -0.839   0.195  0.00  0.00    -0.262 N 
ATOM     10  N   LIG    1        3.773  -1.672  -0.627  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.824  -0.607  -0.363  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -2.357   0.102   0.653  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -3.719   0.320   0.790  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -4.185   1.100   1.927  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -4.653  -0.186  -0.110  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -5.867  -0.025  -0.010  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -4.088  -0.962  -1.254  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -5.066  -1.495  -2.253  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -2.759  -1.139  -1.343  0.00  0.00    +0.033 A 
ENDBRANCH   5  11
BRANCH   6  20
ATOM     20  C   LIG    1        0.640   1.342   0.285  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1        0.813   2.131   1.436  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        0.898   3.523   1.342  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        0.818   4.139   0.096  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        0.923   5.852  -0.018  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        0.655   3.376  -1.057  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        0.571   1.985  -0.964  0.00  0.00    +0.007 A 
ENDBRANCH   6  20
BRANCH   9  27
ATOM     27  C   LIG    1        3.758  -0.035   1.237  0.00  0.00    +0.108 C 
ATOM     28  C   LIG    1        3.468  -0.220   2.708  0.00  0.00    +0.029 C 
ATOM     29  C   LIG    1        4.801  -0.625   2.156  0.00  0.00    +0.029 C 
ENDBRANCH   9  27
TORSDOF 3