REMARK  Name = BDB004685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.221   0.674  -0.271  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        3.159  -0.239  -0.093  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.868   0.292   0.089  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.818  -0.636   0.249  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        1.031  -1.960   0.272  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        2.288  -2.366   0.103  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        1.671   1.697   0.114  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        2.730   2.577  -0.059  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.352  -1.578  -0.089  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        4.002   2.065  -0.256  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        5.926  -1.083  -0.511  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        6.883  -1.378  -0.638  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        5.196  -1.775  -0.370  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        5.641   0.249  -0.484  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        6.541   1.070  -0.634  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.501  -0.167   0.419  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -0.739   0.457  -0.346  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.516  -1.204   0.571  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.870  -0.542   0.681  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1       -3.796  -0.621  -0.372  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -5.036   0.019  -0.294  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -5.386   0.663   0.895  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -4.475   0.759   1.948  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.218   0.169   1.838  0.00  0.00    +0.005 A 
BRANCH  21  25
ATOM     25  N   LIG    1       -5.992  -0.172  -1.299  0.00  0.00    -0.358 N 
ATOM     26  H   LIG    1       -5.597  -0.349  -2.217  0.00  0.00    +0.142 HD
ATOM     27  H   LIG    1       -6.713   0.543  -1.320  0.00  0.00    +0.142 HD
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 5