REMARK  Name = BDB025070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.982   1.204   1.700  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.104   0.118   1.544  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.700  -1.231   1.643  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.100  -1.563   3.090  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.811  -2.373   1.126  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.034  -1.936  -0.098  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.180  -0.771   0.310  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.844  -0.636  -0.119  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.108  -1.468  -0.919  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.089  -0.925  -1.034  0.00  0.00    +0.117 A 
ATOM     11  N   LIG    1       -1.152   0.258  -0.315  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.084   0.456   0.277  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.603   1.456   1.104  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        1.936   1.321   1.517  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.737   0.241   1.123  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.150   1.085   2.064  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.293   1.161  -0.160  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -2.794   1.753  -1.488  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -3.891   2.811  -1.270  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -4.835   2.482  -0.104  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -4.813   1.004   0.267  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -3.418   0.554   0.701  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -3.278   4.177  -1.049  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -2.201   4.414  -0.529  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -4.081   5.173  -1.464  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -3.582   5.993  -1.262  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        5.369   3.508   1.442  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        4.459   2.413   1.345  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.210  -1.502  -1.849  0.00  0.00    +0.131 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.150  -2.992  -2.098  0.00  0.00    +0.068 A 
ATOM     31  N   LIG    1       -2.613  -3.427  -3.304  0.00  0.00    -0.237 NA
ATOM     32  C   LIG    1       -2.609  -4.765  -3.486  0.00  0.00    +0.148 A 
ATOM     33 CL   LIG    1       -3.173  -5.295  -5.013  0.00  0.00    -0.060 Cl
ATOM     34  C   LIG    1       -2.200  -5.655  -2.510  0.00  0.00    +0.150 A 
ATOM     35  N   LIG    1       -1.770  -5.244  -1.294  0.00  0.00    -0.258 NA
ATOM     36  C   LIG    1       -1.749  -3.899  -1.115  0.00  0.00    +0.134 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6