REMARK  Name = BDB004848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.976  -0.710   2.003  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        0.804  -2.231   2.078  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1       -2.621   0.429   1.213  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -1.378  -0.213   1.129  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.381  -0.018   2.104  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -0.650   0.846   3.174  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -1.885   1.487   3.265  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -2.865   1.280   2.291  0.00  0.00    +0.023 A 
BRANCH   3  10
ATOM      9  C   LIG    1       -4.817   0.697   0.026  0.00  0.00    +0.252 C 
ATOM     10  N   LIG    1       -3.551   0.160   0.186  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1       -3.238  -0.486  -0.521  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1       -5.327   1.537   0.758  0.00  0.00    -0.270 OA
BRANCH   9  15
ATOM     13  C   LIG    1       -7.667   1.731  -1.101  0.00  0.00    +0.087 C 
ATOM     14  C   LIG    1       -6.763   0.662  -1.581  0.00  0.00    +0.114 A 
ATOM     15  C   LIG    1       -5.537   0.180  -1.141  0.00  0.00    +0.078 A 
ATOM     16  C   LIG    1       -5.210  -0.873  -2.054  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1       -6.237  -0.945  -2.965  0.00  0.00    +0.196 A 
ATOM     18  O   LIG    1       -7.181  -0.017  -2.685  0.00  0.00    -0.467 OA
ENDBRANCH   9  15
ENDBRANCH   3  10
ENDBRANCH   1   5
BRANCH   1  19
ATOM     19  N   LIG    1        1.589  -0.311   0.729  0.00  0.00    -0.322 N 
ATOM     20  H   LIG    1        1.379   0.666   0.531  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.989  -0.469   0.615  0.00  0.00    +0.130 A 
ATOM     22  C   LIG    1        3.623  -0.120  -0.597  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        5.022  -0.279  -0.648  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1        5.675   0.076  -1.848  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1        4.957   0.562  -2.958  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        3.580   0.701  -2.902  0.00  0.00    +0.002 A 
ATOM     27  N   LIG    1        5.692  -0.758   0.424  0.00  0.00    -0.235 NA
ATOM     28  C   LIG    1        4.987  -1.078   1.514  0.00  0.00    +0.223 A 
ATOM     29  C   LIG    1        2.918   0.360  -1.730  0.00  0.00    +0.013 A 
ATOM     30  N   LIG    1        3.669  -0.956   1.661  0.00  0.00    -0.220 NA
BRANCH  24  31
ATOM     31  C   LIG    1        7.156  -0.034  -2.039  0.00  0.00    +0.244 C 
ATOM     32  O   LIG    1        7.690   0.269  -3.101  0.00  0.00    -0.270 OA
ATOM     33  N   LIG    1        7.916  -0.483  -1.001  0.00  0.00    -0.325 N 
ATOM     34  H   LIG    1        7.487  -0.760  -0.123  0.00  0.00    +0.145 HD
ATOM     35  H   LIG    1        8.913  -0.578  -1.128  0.00  0.00    +0.145 HD
ENDBRANCH  24  31
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6