REMARK  Name = BDB022787
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.152   0.558  -0.755  0.00  0.00    +0.186 A 
ATOM      2  C   LIG    1       -4.648   1.063  -2.087  0.00  0.00    +0.293 A 
ATOM      3  O   LIG    1       -5.414   1.057  -3.053  0.00  0.00    -0.264 OA
ATOM      4  N   LIG    1       -3.330   1.506  -2.164  0.00  0.00    -0.308 N 
ATOM      5  C   LIG    1       -2.848   2.014  -3.440  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -2.448   1.453  -1.047  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1       -2.921   0.953   0.171  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -2.068   0.878   1.286  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -0.727   1.280   1.211  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.278   1.808  -0.000  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -1.119   1.886  -1.118  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -4.308   0.512   0.290  0.00  0.00    +0.061 A 
ENDROOT
BRANCH   9  13
ATOM     13  N   LIG    1        0.072   1.219   2.369  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -0.374   0.730   3.139  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.485   1.134   2.492  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1        2.058   1.253   3.750  0.00  0.00    +0.099 A 
ATOM     17 CL   LIG    1        1.144   1.449   5.192  0.00  0.00    -0.078 Cl
ATOM     18  C   LIG    1        3.428   1.189   3.795  0.00  0.00    +0.137 A 
ATOM     19  N   LIG    1        4.202   1.018   2.706  0.00  0.00    -0.221 NA
ATOM     20  C   LIG    1        3.588   0.908   1.518  0.00  0.00    +0.220 A 
ATOM     21  N   LIG    1        2.252   0.971   1.394  0.00  0.00    -0.198 NA
BRANCH  20  22
ATOM     22  N   LIG    1        4.361   0.750   0.385  0.00  0.00    -0.295 N 
ATOM     23  C   LIG    1        3.728   0.298  -0.857  0.00  0.00    +0.139 C 
ATOM     24  C   LIG    1        4.268  -1.081  -1.299  0.00  0.00    +0.133 C 
ATOM     25  C   LIG    1        3.747  -2.215  -0.421  0.00  0.00    +0.039 C 
ATOM     26  O   LIG    1        5.705  -1.177  -1.350  0.00  0.00    -0.371 OA
ATOM     27  C   LIG    1        6.394  -0.066  -0.748  0.00  0.00    +0.133 C 
ATOM     28  C   LIG    1        7.847  -0.479  -0.561  0.00  0.00    +0.039 C 
ATOM     29  C   LIG    1        5.755   0.342   0.594  0.00  0.00    +0.139 C 
ENDBRANCH  20  22
ENDBRANCH  13  15
ENDBRANCH   9  13
BRANCH   1  30
ATOM     30  O   LIG    1       -6.478   0.163  -0.742  0.00  0.00    -0.477 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -7.024  -0.420   0.432  0.00  0.00    +0.324 C 
BRANCH  31  35
ATOM     32  C   LIG    1       -5.959  -3.954  -0.457  0.00  0.00    +0.128 C 
ATOM     33  N   LIG    1       -6.494  -2.618  -0.476  0.00  0.00    -0.316 N 
ATOM     34  H   LIG    1       -6.519  -2.116  -1.359  0.00  0.00    +0.148 HD
ATOM     35  C   LIG    1       -6.550  -1.853   0.672  0.00  0.00    +0.250 C 
ATOM     36  O   LIG    1       -6.272  -2.274   1.791  0.00  0.00    -0.272 OA
ENDBRANCH  31  35
ENDBRANCH  30  31
ENDBRANCH   1  30
TORSDOF 6