REMARK  Name = BDB004843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.826  -2.060  -1.970  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1        0.554  -1.146  -0.772  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -0.776  -0.419  -0.948  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1       -1.827  -0.643  -0.040  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -3.065   0.007  -0.167  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -3.237   0.900  -1.228  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -2.204   1.141  -2.137  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.982   0.486  -1.999  0.00  0.00    +0.005 A 
BRANCH   5   9
ATOM      9  N   LIG    1       -4.071  -0.296   0.769  0.00  0.00    -0.299 N 
ATOM     10  H   LIG    1       -3.741  -0.237   1.729  0.00  0.00    +0.154 HD
BRANCH   9  11
ATOM     11  C   LIG    1       -5.444  -0.048   0.769  0.00  0.00    +0.124 A 
ATOM     12  N   LIG    1       -5.992   0.219   1.974  0.00  0.00    -0.240 NA
ATOM     13  C   LIG    1       -7.321   0.446   2.040  0.00  0.00    +0.114 A 
ATOM     14  C   LIG    1       -8.159   0.407   0.945  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -7.591   0.107  -0.288  0.00  0.00    +0.056 A 
ATOM     16  C   LIG    1       -6.219  -0.129  -0.379  0.00  0.00    +0.062 A 
BRANCH  15  17
ATOM     17  C   LIG    1       -8.411   0.034  -1.460  0.00  0.00    +0.099 C 
ATOM     18  N   LIG    1       -9.078  -0.021  -2.407  0.00  0.00    -0.191 NA
ENDBRANCH  15  17
ENDBRANCH   9  11
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  19
ATOM     19  N   LIG    1        1.610  -0.136  -0.635  0.00  0.00    -0.322 N 
ATOM     20  H   LIG    1        1.260   0.674  -0.126  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.814  -0.541  -0.019  0.00  0.00    +0.130 A 
ATOM     22  C   LIG    1        3.869   0.388   0.106  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        5.039  -0.065   0.748  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1        6.100   0.854   0.894  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1        6.000   2.172   0.408  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        4.852   2.602  -0.236  0.00  0.00    +0.002 A 
ATOM     27  N   LIG    1        5.119  -1.338   1.197  0.00  0.00    -0.235 NA
ATOM     28  C   LIG    1        4.067  -2.141   1.003  0.00  0.00    +0.223 A 
ATOM     29  C   LIG    1        3.796   1.715  -0.388  0.00  0.00    +0.013 A 
ATOM     30  N   LIG    1        2.920  -1.804   0.418  0.00  0.00    -0.220 NA
BRANCH  24  31
ATOM     31  C   LIG    1        7.395   0.512   1.563  0.00  0.00    +0.244 C 
ATOM     32  O   LIG    1        8.293   1.339   1.684  0.00  0.00    -0.270 OA
ATOM     33  N   LIG    1        7.566  -0.751   2.044  0.00  0.00    -0.325 N 
ATOM     34  H   LIG    1        6.834  -1.449   1.950  0.00  0.00    +0.145 HD
ATOM     35  H   LIG    1        8.438  -0.992   2.493  0.00  0.00    +0.145 HD
ENDBRANCH  24  31
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 7