REMARK  Name = BDB060066
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.643   0.724   2.673  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        1.457   0.143   2.200  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        0.599   0.970   1.463  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.880   2.311   1.216  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1       -0.112   2.892   0.471  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1       -0.997   1.940   0.237  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1        2.058   2.879   1.725  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1       -0.612   0.762   0.844  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -1.340  -0.485   0.818  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1        2.933   2.072   2.462  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1        3.543   0.004   3.430  0.00  0.00    -0.454 OA
BRANCH  11  15
ATOM     12  C   LIG    1        4.989  -3.543   1.952  0.00  0.00    +0.215 A 
ATOM     13  N   LIG    1        4.801  -2.540   1.067  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1        4.322  -1.375   1.566  0.00  0.00    +0.160 A 
ATOM     15  C   LIG    1        4.005  -1.177   2.905  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1        4.228  -2.225   3.792  0.00  0.00    +0.053 A 
ATOM     17  C   LIG    1        4.722  -3.433   3.309  0.00  0.00    +0.071 A 
BRANCH  12  19
ATOM     18  C   LIG    1        5.747  -4.792   0.126  0.00  0.00    +0.279 C 
ATOM     19  O   LIG    1        5.473  -4.763   1.523  0.00  0.00    -0.480 OA
ENDBRANCH  12  19
ENDBRANCH  11  15
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1       -2.259   2.108  -0.550  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.254   1.114  -1.575  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.328   1.085  -2.421  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -4.449   1.913  -2.356  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -5.486   1.770  -3.291  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -5.397   0.795  -4.293  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -4.277  -0.031  -4.358  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.250   0.115  -3.425  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -6.657   2.671  -3.177  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -6.819   3.519  -2.319  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -7.573   2.467  -4.140  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -8.273   3.125  -3.944  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 8