REMARK  Name = BDB012489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.280  -0.100  -0.001  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -1.994  -0.310   0.371  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1       -0.648  -0.055  -0.194  0.00  0.00    +0.161 C 
ATOM      4  N   LIG    1        0.174  -0.650   0.897  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -0.590  -1.144   1.973  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -0.243  -1.681   3.011  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1       -1.961  -0.911   1.595  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -3.280  -1.089   2.041  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -3.718  -1.704   3.317  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1       -4.082  -0.570   1.027  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        1.573  -0.779   0.731  0.00  0.00    +0.131 A 
ATOM     12  N   LIG    1        2.068  -0.394  -0.472  0.00  0.00    -0.211 NA
ATOM     13  C   LIG    1        3.404  -0.516  -0.580  0.00  0.00    +0.180 A 
ATOM     14  C   LIG    1        4.296  -0.995   0.365  0.00  0.00    +0.134 A 
ATOM     15  N   LIG    1        5.567  -0.957  -0.147  0.00  0.00    -0.128 NA
ATOM     16  N   LIG    1        5.501  -0.463  -1.380  0.00  0.00    -0.063 NA
ATOM     17  C   LIG    1        3.786  -1.407   1.600  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1        4.628  -1.941   2.717  0.00  0.00    +0.046 C 
ATOM     19  N   LIG    1        4.205  -0.195  -1.637  0.00  0.00    -0.230 N 
ATOM     20  C   LIG    1        3.822   0.374  -2.899  0.00  0.00    +0.176 C 
ATOM     21  C   LIG    1        2.388  -1.279   1.757  0.00  0.00    +0.049 A 
ENDBRANCH   4  11
BRANCH   3  22
ATOM     22  C   LIG    1       -0.387   1.425  -0.431  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -0.093   1.879  -1.728  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        0.144   3.234  -1.974  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        0.090   4.148  -0.924  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        0.382   5.815  -1.229  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.199   3.719   0.368  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.436   2.365   0.615  0.00  0.00    +0.007 A 
ENDBRANCH   3  22
BRANCH   1  29
ATOM     29  C   LIG    1       -3.759   0.525  -1.223  0.00  0.00    +0.283 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -3.985  -1.399  -2.594  0.00  0.00    +0.196 C 
ATOM     31  O   LIG    1       -4.654  -0.349  -1.909  0.00  0.00    -0.363 OA
ENDBRANCH  29  31
ENDBRANCH   1  29
TORSDOF 4