REMARK  Name = BDB058295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.887   0.540  -0.290  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1       -2.954   0.794  -1.278  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -1.624   0.578   0.270  0.00  0.00    +0.217 C 
ATOM      4  O   LIG    1       -1.335   0.337   1.436  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -5.315   0.237  -0.443  0.00  0.00    +0.080 A 
ATOM      6  C   LIG    1       -4.122   0.200   0.321  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -4.202  -0.176   1.668  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -5.428  -0.508   2.253  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -6.596  -0.470   1.502  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -6.542  -0.100   0.160  0.00  0.00    +0.017 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -5.277   0.631  -1.886  0.00  0.00    +0.341 C 
ATOM     12  O   LIG    1       -4.248   0.934  -2.475  0.00  0.00    -0.245 OA
BRANCH  11  14
ATOM     13  C   LIG    1       -6.550   0.975  -3.819  0.00  0.00    +0.280 C 
ATOM     14  O   LIG    1       -6.516   0.608  -2.438  0.00  0.00    -0.464 OA
ENDBRANCH  11  14
ENDBRANCH   5  11
ENDBRANCH   1   6
BRANCH   3  15
ATOM     15  C   LIG    1       -0.577   0.995  -0.755  0.00  0.00    +0.097 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.859   0.895  -0.235  0.00  0.00    +0.024 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.333  -0.565  -0.143  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1        2.686  -0.789   0.378  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        3.743  -0.218  -0.469  0.00  0.00    +0.119 C 
ATOM     20  C   LIG    1        5.137  -0.437   0.086  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        5.335  -0.723   1.449  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        6.635  -0.887   1.944  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        7.735  -0.743   1.099  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        7.544  -0.441  -0.247  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.146  -0.919   2.357  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1        6.252  -0.285  -0.752  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        2.849  -0.348   1.768  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 7