REMARK  Name = BDB030631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.984  -0.825  -0.446  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1       -0.863  -1.827  -0.622  0.00  0.00    +0.022 C 
ATOM      3  C   LIG    1        0.569  -1.402  -0.546  0.00  0.00    +0.112 C 
ATOM      4  N   LIG    1        0.727  -0.900   0.816  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1        1.876  -0.364   1.386  0.00  0.00    +0.267 C 
ATOM      6  O   LIG    1        1.870  -0.014   2.570  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1       -0.443  -1.120   1.649  0.00  0.00    +0.112 C 
ATOM      8  C   LIG    1       -1.483  -1.649   0.719  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -6.936  -0.851  -1.741  0.00  0.00    +0.088 C 
ATOM     10  C   LIG    1       -5.503  -1.199  -1.614  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1       -4.581  -0.508  -0.862  0.00  0.00    -0.312 N 
ATOM     12  C   LIG    1       -3.385  -1.157  -1.039  0.00  0.00    +0.137 A 
ATOM     13  N   LIG    1       -3.576  -2.183  -1.843  0.00  0.00    -0.134 NA
ATOM     14  N   LIG    1       -4.900  -2.212  -2.200  0.00  0.00    -0.135 NA
BRANCH  11  15
ATOM     15  C   LIG    1       -4.899   0.707  -0.088  0.00  0.00    +0.090 C 
ATOM     16  C   LIG    1       -4.125   1.969  -0.522  0.00  0.00    +0.025 C 
ATOM     17  C   LIG    1       -4.037   2.340   0.974  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1       -4.242   0.844   1.300  0.00  0.00    +0.025 C 
ENDBRANCH  11  15
ENDBRANCH   1  12
BRANCH   5  19
ATOM     19  C   LIG    1        3.108  -0.207   0.579  0.00  0.00    +0.147 A 
ATOM     20  N   LIG    1        3.249  -0.564  -0.713  0.00  0.00    -0.169 NA
ATOM     21  N   LIG    1        4.515  -0.247  -1.021  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        4.840  -0.438  -1.964  0.00  0.00    +0.189 HD
ATOM     23  C   LIG    1        5.217   0.306   0.011  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        4.330   0.345   1.064  0.00  0.00    +0.057 A 
BRANCH  23  25
ATOM     25  C   LIG    1        6.646   0.731  -0.124  0.00  0.00    +0.031 C 
ATOM     26  C   LIG    1        6.794   2.234   0.115  0.00  0.00    +0.014 C 
ATOM     27  C   LIG    1        7.544  -0.059   0.828  0.00  0.00    +0.014 C 
ENDBRANCH  23  25
ENDBRANCH   5  19
TORSDOF 4