REMARK  Name = BDB061284
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.755  -2.642   0.852  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -1.457  -2.167  -0.274  0.00  0.00    +0.151 A 
ATOM      3  C   LIG    1       -1.841  -3.041  -1.291  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1       -2.564  -2.498  -2.447  0.00  0.00    +0.197 A 
ATOM      5  C   LIG    1       -2.819  -1.052  -2.465  0.00  0.00    +0.098 A 
ATOM      6  C   LIG    1       -2.396  -0.309  -1.433  0.00  0.00    +0.139 A 
ATOM      7  O   LIG    1       -2.934  -3.225  -3.364  0.00  0.00    -0.287 OA
ATOM      8  C   LIG    1       -1.535  -4.401  -1.199  0.00  0.00    +0.135 A 
ATOM      9  C   LIG    1       -0.846  -4.891  -0.095  0.00  0.00    +0.092 A 
ATOM     10  O   LIG    1       -1.749  -0.824  -0.323  0.00  0.00    -0.454 OA
ATOM     11  C   LIG    1       -0.461  -4.013   0.920  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -2.612   1.152  -1.376  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1       -2.473   1.964  -2.515  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -2.665   3.348  -2.438  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -2.990   3.926  -1.217  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1       -3.121   3.147  -0.075  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -2.929   1.766  -0.154  0.00  0.00    +0.015 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -3.184   5.270  -1.095  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1       -3.054   5.683  -1.964  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   6  12
BRANCH   8  20
ATOM     20  O   LIG    1       -1.883  -5.313  -2.160  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1       -2.363  -4.836  -2.875  0.00  0.00    +0.292 HD
ENDBRANCH   8  20
BRANCH  11  22
ATOM     22  O   LIG    1        0.218  -4.495   2.005  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1        0.351  -5.452   1.895  0.00  0.00    +0.292 HD
ENDBRANCH  11  22
BRANCH   1  24
ATOM     24  C   LIG    1       -0.328  -1.687   1.950  0.00  0.00    +0.127 C 
BRANCH  24  28
ATOM     25  C   LIG    1        2.838   0.960   0.943  0.00  0.00    +0.100 C 
ATOM     26  C   LIG    1        1.668   1.492   1.784  0.00  0.00    +0.030 C 
ATOM     27  C   LIG    1        0.847   0.380   2.442  0.00  0.00    +0.085 C 
ATOM     28  N   LIG    1        0.708  -0.737   1.511  0.00  0.00    -0.298 NA
ATOM     29  C   LIG    1        1.995  -1.405   1.260  0.00  0.00    +0.085 C 
ATOM     30  C   LIG    1        3.202  -0.465   1.365  0.00  0.00    +0.030 C 
BRANCH  25  31
ATOM     31  C   LIG    1        4.033   1.884   1.056  0.00  0.00    +0.310 C 
ATOM     32  O   LIG    1        5.091   1.607   1.603  0.00  0.00    -0.251 OA
BRANCH  31  34
ATOM     33  C   LIG    1        4.830   4.016   0.504  0.00  0.00    +0.280 C 
ATOM     34  O   LIG    1        3.758   3.075   0.450  0.00  0.00    -0.468 OA
ENDBRANCH  31  34
ENDBRANCH  25  31
ENDBRANCH  24  28
ENDBRANCH   1  24
TORSDOF 8