REMARK  Name = BDB062299
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.624  -2.842  -0.463  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.317  -1.921   0.536  0.00  0.00    +0.071 C 
ATOM      3  N   LIG    1       -2.379  -0.915   1.013  0.00  0.00    -0.338 N 
ATOM      4  H   LIG    1       -1.636  -1.291   1.592  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.124   0.341   0.463  0.00  0.00    +0.084 A 
ATOM      6  C   LIG    1       -0.684   0.718   0.317  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -0.325   2.029  -0.028  0.00  0.00    +0.054 A 
ATOM      8  N   LIG    1       -1.338   2.974  -0.337  0.00  0.00    -0.308 N 
ATOM      9  C   LIG    1       -2.678   2.620  -0.374  0.00  0.00    +0.295 A 
ATOM     10  O   LIG    1       -3.554   3.396  -0.764  0.00  0.00    -0.264 OA
ATOM     11  C   LIG    1       -0.981   4.330  -0.728  0.00  0.00    +0.152 C 
ATOM     12  C   LIG    1        1.035   2.373  -0.106  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        2.038   1.425   0.108  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        1.714   0.105   0.399  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1        0.353  -0.230   0.486  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -3.071   1.248   0.114  0.00  0.00    +0.207 A 
ATOM     17  O   LIG    1       -4.443   1.084   0.191  0.00  0.00    -0.485 OA
ATOM     18  C   LIG    1       -5.014  -0.097   0.737  0.00  0.00    +0.231 C 
ATOM     19  C   LIG    1       -4.591  -1.324  -0.049  0.00  0.00    +0.063 C 
ENDROOT
BRANCH  14  20
ATOM     20  N   LIG    1        2.676  -0.912   0.548  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        2.369  -1.655   1.172  0.00  0.00    +0.152 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.005  -1.022   0.078  0.00  0.00    +0.053 A 
ATOM     23  C   LIG    1        4.984  -1.723   0.809  0.00  0.00    +0.110 A 
ATOM     24  C   LIG    1        6.279  -1.754   0.308  0.00  0.00    +0.148 A 
ATOM     25 CL   LIG    1        7.574  -2.573   1.096  0.00  0.00    -0.061 Cl
ATOM     26  N   LIG    1        6.669  -1.155  -0.839  0.00  0.00    -0.242 NA
ATOM     27  C   LIG    1        5.721  -0.491  -1.525  0.00  0.00    +0.114 A 
ATOM     28  C   LIG    1        4.403  -0.396  -1.111  0.00  0.00    +0.044 A 
BRANCH  23  29
ATOM     29  C   LIG    1        4.656  -2.384   2.031  0.00  0.00    +0.104 C 
ATOM     30  N   LIG    1        4.323  -2.919   3.006  0.00  0.00    -0.191 NA
ENDBRANCH  23  29
ENDBRANCH  20  22
ENDBRANCH  14  20
TORSDOF 3