REMARK  Name = BDB025419
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.920  -0.765  -1.883  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1        5.625  -0.277  -1.472  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1        4.918  -0.264  -2.192  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1        5.137  -0.618  -0.236  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1        3.865  -0.137   0.034  0.00  0.00    -0.281 N 
ATOM      6  C   LIG    1        3.321  -0.507   1.353  0.00  0.00    +0.149 C 
ATOM      7  C   LIG    1        1.855  -0.273   1.381  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1        0.868  -0.651   2.304  0.00  0.00    +0.144 A 
ATOM      9  N   LIG    1       -0.341  -0.230   1.951  0.00  0.00    -0.149 NA
ATOM     10  N   LIG    1       -0.165   0.434   0.773  0.00  0.00    -0.202 N 
ATOM     11  C   LIG    1       -1.257   0.990   0.074  0.00  0.00    +0.255 C 
ATOM     12  O   LIG    1       -1.049   1.561  -0.993  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        1.168   0.440   0.422  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1        1.793   1.047  -0.781  0.00  0.00    +0.075 C 
ATOM     15  C   LIG    1        3.323   1.099  -0.579  0.00  0.00    +0.116 C 
ATOM     16  O   LIG    1        5.774  -1.306   0.556  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.622   0.812   0.727  0.00  0.00    +0.113 C 
ATOM     18  C   LIG    1       -3.492  -0.200  -0.009  0.00  0.00    -0.014 A 
ATOM     19  C   LIG    1       -4.848   0.081  -0.262  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1       -5.611  -0.846  -0.985  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -5.075  -2.075  -1.371  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.759  -2.385  -1.051  0.00  0.00    +0.000 A 
ATOM     23  N   LIG    1       -5.427   1.315   0.074  0.00  0.00    -0.344 N 
ATOM     24  H   LIG    1       -6.432   1.238   0.212  0.00  0.00    +0.146 HD
ATOM     25  C   LIG    1       -4.752   2.060   1.124  0.00  0.00    +0.102 C 
ATOM     26  C   LIG    1       -2.971  -1.456  -0.372  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1       -3.282   2.200   0.779  0.00  0.00    +0.036 C 
ENDBRANCH  11  17
BRANCH   8  28
ATOM     28  N   LIG    1        1.094  -1.357   3.417  0.00  0.00    -0.341 N 
ATOM     29  H   LIG    1        0.275  -1.741   3.878  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        1.907  -1.957   3.494  0.00  0.00    +0.144 HD
ENDBRANCH   8  28
TORSDOF 2