REMARK  Name = BDB057998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.001  -0.889  -1.299  0.00  0.00    +0.075 A 
ATOM      2  N   LIG    1       -3.247  -0.440  -0.855  0.00  0.00    -0.231 N 
ATOM      3  N   LIG    1       -4.244  -0.889  -1.670  0.00  0.00    -0.159 NA
ATOM      4  C   LIG    1       -3.665  -1.733  -2.535  0.00  0.00    +0.170 A 
ATOM      5  C   LIG    1       -2.269  -1.767  -2.333  0.00  0.00    +0.065 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        1.881   0.317   0.018  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        1.474  -1.010   0.150  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        0.200  -1.402  -0.280  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -0.683  -0.469  -0.836  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.266   0.858  -0.981  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        1.006   1.246  -0.550  0.00  0.00    +0.046 A 
BRANCH   6  12
ATOM     12  O   LIG    1        3.089   0.831   0.397  0.00  0.00    -0.492 OA
BRANCH  12  13
ATOM     13  C   LIG    1        4.043  -0.078   0.947  0.00  0.00    +0.232 C 
BRANCH  13  15
ATOM     14  C   LIG    1        5.960   1.295   0.022  0.00  0.00    +0.010 C 
ATOM     15  C   LIG    1        5.329   0.694   1.280  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1        6.329  -0.216   1.991  0.00  0.00    +0.010 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   2  17
ATOM     17  C   LIG    1       -3.602   0.361   0.278  0.00  0.00    +0.066 A 
ATOM     18  C   LIG    1       -2.718   0.606   1.336  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1       -3.115   1.395   2.422  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -4.397   1.936   2.469  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.293   1.682   1.436  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.902   0.895   0.349  0.00  0.00    +0.028 A 
ENDBRANCH   2  17
BRANCH   4  23
ATOM     23  C   LIG    1       -4.407  -2.477  -3.554  0.00  0.00    +0.357 C 
ATOM     24  O   LIG    1       -3.906  -3.250  -4.362  0.00  0.00    -0.243 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -5.746  -2.268  -3.571  0.00  0.00    -0.476 OA
ATOM     26  H   LIG    1       -6.060  -2.836  -4.300  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH   4  23
TORSDOF 7