REMARK  Name = BDB056417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.909   1.378  -0.514  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1       -1.658   1.937  -0.531  0.00  0.00    -0.334 N 
ATOM      3  H   LIG    1       -0.850   1.525  -0.974  0.00  0.00    +0.168 HD
ATOM      4  C   LIG    1       -1.696   3.111   0.173  0.00  0.00    +0.130 A 
ATOM      5  C   LIG    1       -3.029   3.220   0.552  0.00  0.00    +0.182 A 
ATOM      6  N   LIG    1       -3.518   4.263   1.257  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -2.603   5.212   1.563  0.00  0.00    +0.137 A 
ATOM      8  C   LIG    1       -1.252   5.181   1.228  0.00  0.00    +0.103 A 
ATOM      9 CL   LIG    1       -0.234   6.486   1.712  0.00  0.00    -0.078 Cl
ATOM     10  C   LIG    1       -0.751   4.085   0.519  0.00  0.00    +0.175 A 
ATOM     11  N   LIG    1       -3.762   2.149   0.127  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1       -5.801  -0.188  -0.636  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1       -4.508  -0.641  -1.204  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.257   0.017  -1.163  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1       -2.383  -0.813  -1.824  0.00  0.00    +0.119 A 
ATOM     16  N   LIG    1       -3.127  -1.890  -2.213  0.00  0.00    -0.274 N 
ATOM     17  C   LIG    1       -2.664  -3.045  -2.943  0.00  0.00    +0.172 C 
ATOM     18  N   LIG    1       -4.420  -1.811  -1.853  0.00  0.00    -0.176 NA
ENDBRANCH   1  14
BRANCH  10  19
ATOM     19  O   LIG    1        0.592   4.074   0.165  0.00  0.00    -0.452 OA
BRANCH  19  20
ATOM     20  C   LIG    1        1.210   2.851   0.090  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1        1.292   2.002   1.197  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        1.891   0.747   1.063  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        2.426   0.357  -0.172  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        2.363   1.228  -1.269  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1        1.770   2.484  -1.133  0.00  0.00    +0.047 A 
BRANCH  23  26
ATOM     26  C   LIG    1        3.023  -0.987  -0.376  0.00  0.00    +0.244 C 
ATOM     27  N   LIG    1        3.721  -1.513   0.692  0.00  0.00    -0.308 N 
ATOM     28  H   LIG    1        3.904  -0.911   1.486  0.00  0.00    +0.149 HD
ATOM     29  O   LIG    1        2.887  -1.553  -1.454  0.00  0.00    -0.270 OA
BRANCH  27  30
ATOM     30  C   LIG    1        4.392  -2.829   0.606  0.00  0.00    +0.073 C 
ATOM     31  C   LIG    1        3.449  -4.037   0.824  0.00  0.00    +0.022 C 
ATOM     32  C   LIG    1        3.824  -3.991   2.318  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1        5.112  -3.251   1.909  0.00  0.00    +0.022 C 
ENDBRANCH  27  30
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  10  19
TORSDOF 5