REMARK  Name = BDB004790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.827   0.009   0.428  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        1.958  -0.121  -0.408  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        3.210   0.162   0.173  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        4.351   0.055  -0.651  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        4.247  -0.334  -2.001  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        3.014  -0.628  -2.557  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        3.294   0.517   1.474  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        2.161   0.575   2.182  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        1.879  -0.524  -1.766  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        0.935   0.335   1.723  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        5.741   0.336  -0.170  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        6.713   0.217  -0.908  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.915   0.734   1.122  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        6.850   0.903   1.462  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        5.123   0.810   1.754  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.455  -0.250  -0.106  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1       -0.571   0.317  -0.941  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.613  -0.075   0.797  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.117   1.363   0.724  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1       -1.907   2.222   1.815  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -2.343   3.548   1.777  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -2.991   4.037   0.646  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.199   3.202  -0.450  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.762   1.876  -0.414  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1       -2.715  -1.107   0.390  0.00  0.00    +0.108 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -2.233  -2.493   0.534  0.00  0.00    -0.314 NA
ATOM     27  H   LIG    1       -1.291  -2.542   0.135  0.00  0.00    +0.122 HD
BRANCH  26  29
ATOM     28  C   LIG    1       -2.936  -3.575  -1.592  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -3.115  -3.477  -0.083  0.00  0.00    +0.077 C 
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 7