REMARK  Name = BDB014563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.355  -1.735   0.137  0.00  0.00    +0.254 C 
ATOM      2  N   LIG    1        1.307  -0.405  -0.226  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        2.122  -0.016  -0.708  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.575  -2.238   0.944  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        2.016  -2.767  -2.034  0.00  0.00    +0.062 C 
ATOM      6  C   LIG    1        2.434  -2.570  -0.578  0.00  0.00    +0.256 C 
BRANCH   6   7
ATOM      7  O   LIG    1        3.725  -1.965  -0.599  0.00  0.00    -0.478 OA
BRANCH   7   8
ATOM      8  C   LIG    1        4.352  -1.746   0.603  0.00  0.00    +0.144 A 
ATOM      9  C   LIG    1        5.391  -0.797   0.573  0.00  0.00    +0.089 A 
ATOM     10  C   LIG    1        6.090  -0.464   1.732  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        5.779  -1.105   2.929  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        4.768  -2.065   2.964  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        4.053  -2.387   1.804  0.00  0.00    +0.047 A 
BRANCH   9  14
ATOM     14  N   LIG    1        5.667  -0.086  -0.652  0.00  0.00    -0.217 N 
ATOM     15  H   LIG    1        5.400  -0.693  -1.435  0.00  0.00    +0.173 HD
BRANCH  14  16
ATOM     16  S   LIG    1        4.773   1.357  -0.810  0.00  0.00    +0.040 S 
ATOM     17  O   LIG    1        3.496   0.992  -1.391  0.00  0.00    -0.155 OA
ATOM     18  O   LIG    1        4.854   2.123   0.413  0.00  0.00    -0.155 OA
ATOM     19  C   LIG    1        5.742   2.192  -2.046  0.00  0.00    +0.218 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   2  20
ATOM     20  C   LIG    1        0.450   0.537   0.480  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.021   0.414   0.042  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -1.087   0.687  -1.367  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -0.392   0.133  -1.769  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -1.895   1.423   0.825  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.362   1.283   0.768  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -3.901   1.449  -0.592  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -5.413   1.328  -0.639  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.110   0.632   0.366  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -7.502   0.498   0.283  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -8.196   1.028  -0.804  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.507   1.701  -1.811  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.365   0.092   1.563  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -6.122   1.848  -1.732  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -3.846   0.023   1.341  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 10