REMARK  Name = BDB009185
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.475  -2.486  -0.127  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.744  -1.876  -0.461  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.945  -2.604  -0.465  0.00  0.00    -0.045 A 
ATOM      4  C   LIG    1       -1.917  -3.960  -0.126  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.711  -4.573   0.209  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.479  -3.840   0.209  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.936  -2.048   0.149  0.00  0.00    +0.255 C 
ATOM      8  N   LIG    1        1.630  -1.675  -0.158  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1        1.482  -0.714  -0.436  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        3.300  -3.160   0.516  0.00  0.00    -0.272 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.912  -0.875  -0.028  0.00  0.00    +0.324 C 
BRANCH  11  12
ATOM     12  O   LIG    1        5.236  -1.236   0.329  0.00  0.00    -0.483 OA
BRANCH  12  16
ATOM     13  C   LIG    1        8.378   1.503   0.083  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1        8.559   0.195   0.530  0.00  0.00    +0.049 A 
ATOM     15  C   LIG    1        7.479  -0.688   0.597  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1        6.202  -0.276   0.216  0.00  0.00    +0.121 A 
ATOM     17  C   LIG    1        6.017   1.032  -0.232  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1        7.102   1.919  -0.298  0.00  0.00    +0.049 A 
BRANCH  13  20
ATOM     19  C   LIG    1        9.383   3.606  -0.390  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        9.513   2.265   0.065  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH  12  16
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -3.251  -1.933  -0.808  0.00  0.00    +0.041 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.066  -1.611   0.443  0.00  0.00    +0.062 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.322  -0.848   0.058  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1       -5.340   0.643   0.159  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -4.119   1.402   0.597  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1       -4.210   2.907   0.323  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.582   3.453   0.697  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -6.688   2.745  -0.089  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1       -6.490   1.256  -0.169  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1       -7.651   0.458  -0.638  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1       -8.711   0.986  -0.958  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -7.461  -0.896  -0.699  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1       -8.242  -1.461  -1.015  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1       -6.326  -1.560  -0.355  0.00  0.00    -0.176 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 8