REMARK  Name = BDB003068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.793  -0.638   0.537  0.00  0.00    +0.222 C 
ATOM      2  N   LIG    1       -1.836  -1.104  -0.356  0.00  0.00    -0.285 N 
ATOM      3  H   LIG    1       -2.181  -1.496  -1.232  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -2.594  -0.241   1.678  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -4.350   0.295  -1.276  0.00  0.00    +0.117 C 
ATOM      6  C   LIG    1       -4.183  -0.698  -0.072  0.00  0.00    +0.096 C 
ATOM      7  C   LIG    1       -5.357  -0.306   0.852  0.00  0.00    +0.025 C 
ATOM      8  C   LIG    1       -6.462  -0.180  -0.205  0.00  0.00    +0.016 C 
ATOM      9  C   LIG    1       -5.277   1.151   1.254  0.00  0.00    -0.027 C 
ATOM     10  C   LIG    1       -5.519   1.891   0.163  0.00  0.00    -0.027 C 
ATOM     11  C   LIG    1       -5.736   0.927  -0.980  0.00  0.00    +0.026 C 
BRANCH   5  13
ATOM     12  O   LIG    1       -3.690  -1.522  -2.707  0.00  0.00    -0.251 OA
ATOM     13  C   LIG    1       -4.252  -0.440  -2.590  0.00  0.00    +0.309 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -4.717   0.239  -3.656  0.00  0.00    -0.480 OA
ATOM     15  H   LIG    1       -5.021   1.149  -3.476  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   5  13
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  C   LIG    1       -0.442  -1.175  -0.165  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        0.213  -0.731   0.986  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        1.605  -0.834   1.095  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        2.351  -1.365   0.040  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        1.704  -1.834  -1.104  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        0.314  -1.731  -1.207  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.823  -1.505   0.137  0.00  0.00    +0.247 C 
ATOM     23  N   LIG    1        4.589  -0.394   0.490  0.00  0.00    -0.298 N 
ATOM     24  C   LIG    1        4.110   0.991   0.435  0.00  0.00    +0.108 C 
ATOM     25  C   LIG    1        5.207   1.954  -0.005  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1        6.431   1.889   0.909  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1        6.632   0.512   1.542  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1        6.021  -0.600   0.700  0.00  0.00    +0.108 C 
ATOM     29  O   LIG    1        4.308  -2.609  -0.101  0.00  0.00    -0.270 OA
ENDBRANCH  19  22
ENDBRANCH   2  16
TORSDOF 5