REMARK  Name = BDB004630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.977   3.442  -0.374  0.00  0.00    +0.066 A 
ATOM      2  C   LIG    1        0.589   3.454  -0.124  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -0.052   2.212   0.023  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -1.443   2.239   0.257  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1       -2.124   3.389   0.377  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -1.428   4.514   0.231  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        0.698   1.012  -0.059  0.00  0.00    +0.059 A 
ATOM      8  C   LIG    1        2.066   1.016  -0.303  0.00  0.00    +0.123 A 
ATOM      9  N   LIG    1       -0.117   4.603  -0.022  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        2.703   2.234  -0.466  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        2.155   5.893  -0.485  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        2.695   6.739  -0.598  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        1.159   5.951  -0.291  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        2.785   4.688  -0.561  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        3.991   4.641  -0.780  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -2.146   1.027   0.408  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -1.958   0.424  -0.389  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -3.580   1.161   0.632  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.189  -0.221   0.723  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -3.911  -1.043   1.825  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -4.461  -2.324   1.912  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -5.303  -2.808   0.901  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1       -5.569  -1.990  -0.207  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -5.018  -0.709  -0.295  0.00  0.00    +0.006 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -5.879  -4.200   0.984  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1       -5.065  -5.132   0.418  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -7.080  -4.319   0.351  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -6.093  -4.616   2.264  0.00  0.00    -0.166 F 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
BRANCH   8  29
ATOM     29  O   LIG    1        2.645  -0.217  -0.360  0.00  0.00    -0.487 OA
BRANCH  29  30
ATOM     30  C   LIG    1        4.054  -0.272  -0.581  0.00  0.00    +0.264 C 
BRANCH  30  31
ATOM     31  C   LIG    1        4.468  -1.723  -0.581  0.00  0.00    -0.010 A 
ATOM     32  C   LIG    1        4.697  -2.395   0.628  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1        5.067  -3.741   0.631  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        5.202  -4.430  -0.573  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        4.963  -3.776  -1.780  0.00  0.00    +0.000 A 
ATOM     36  C   LIG    1        4.593  -2.430  -1.785  0.00  0.00    +0.007 A 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   8  29
TORSDOF 8