REMARK  Name = BDB033092
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.475  -1.579  -0.910  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.872  -1.027  -1.366  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.804  -2.053  -0.972  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.302  -2.833   0.059  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -1.917  -3.677   0.692  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.123  -2.414   0.323  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.802  -0.836  -0.554  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        1.457  -0.550  -0.631  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1        1.161   0.324  -0.199  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        3.258  -1.931  -0.867  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1        7.488   0.705   0.191  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        6.015   0.969   0.310  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1        5.088   0.015  -0.133  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        3.704   0.254  -0.062  0.00  0.00    +0.078 A 
ATOM     15  C   LIG    1        3.260   1.478   0.463  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1        4.178   2.441   0.893  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        5.549   2.188   0.810  0.00  0.00    +0.007 A 
BRANCH  15  18
ATOM     18  O   LIG    1        1.920   1.757   0.572  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1        1.819   2.628   0.995  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -3.206  -2.016  -1.338  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.949  -0.896  -0.650  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -4.283   0.274  -1.344  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -4.953   1.315  -0.697  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -5.294   1.211   0.661  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1       -4.963   0.037   1.352  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1       -4.294  -1.004   0.704  0.00  0.00    +0.006 A 
BRANCH  24  27
ATOM     27  C   LIG    1       -6.035   2.328   1.352  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1       -7.384   2.227   1.205  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -5.699   3.561   0.876  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -5.805   2.377   2.694  0.00  0.00    -0.166 F 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6