REMARK  Name = BDB004727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.868  -0.319   0.307  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        1.958   0.332   0.923  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        3.151  -0.408   1.041  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        4.250   0.221   1.666  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        4.162   1.543   2.144  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        2.989   2.267   2.009  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        3.219  -1.671   0.563  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        2.131  -2.180  -0.025  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        1.896   1.665   1.401  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        0.961  -1.565  -0.178  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        5.574  -0.448   1.866  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        6.513   0.133   2.401  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.726  -1.734   1.440  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        4.966  -2.223   0.976  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        6.620  -2.187   1.556  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.360   0.367   0.179  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1       -0.646   0.664   1.110  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.464  -0.357  -0.480  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.771   0.306  -0.044  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -3.761  -0.451   0.604  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -4.953   0.149   1.012  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -6.154  -0.795   1.806  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -5.177   1.505   0.787  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -4.203   2.269   0.147  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.009   1.674  -0.265  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  26
ATOM     26  C   LIG    1       -1.298  -0.345  -2.034  0.00  0.00    +0.107 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -2.116  -1.099  -4.178  0.00  0.00    +0.101 C 
ATOM     28  N   LIG    1       -2.297  -1.178  -2.735  0.00  0.00    -0.317 NA
ATOM     29  H   LIG    1       -2.186  -2.147  -2.436  0.00  0.00    +0.122 HD
ENDBRANCH  26  28
ENDBRANCH  18  26
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6