REMARK  Name = BDB014459
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.201  -0.880   0.974  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.010  -0.757   1.686  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.365  -2.003   1.259  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.603  -1.789   0.237  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -2.172   0.286   1.130  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -3.426   0.083   0.618  0.00  0.00    -0.481 OA
BRANCH   6   8
ATOM      7  C   LIG    1       -5.575  -0.742   0.203  0.00  0.00    +0.089 A 
ATOM      8  C   LIG    1       -4.392  -0.828   0.922  0.00  0.00    +0.143 A 
ATOM      9  C   LIG    1       -4.233  -1.799   1.891  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -5.288  -2.676   2.113  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -6.472  -2.626   1.425  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -6.590  -1.628   0.456  0.00  0.00    +0.028 A 
BRANCH   7  13
ATOM     13  N   LIG    1       -5.748   0.260  -0.794  0.00  0.00    -0.217 N 
ATOM     14  H   LIG    1       -5.097   0.340  -1.569  0.00  0.00    +0.173 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -8.321   1.055  -1.858  0.00  0.00    +0.218 C 
ATOM     16  S   LIG    1       -7.090   1.313  -0.623  0.00  0.00    +0.040 S 
ATOM     17  O   LIG    1       -7.728   1.180   0.735  0.00  0.00    -0.155 OA
ATOM     18  O   LIG    1       -6.543   2.723  -0.774  0.00  0.00    -0.155 OA
ENDBRANCH  13  16
ENDBRANCH   7  13
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1        1.132  -0.638   2.369  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.460  -0.763   1.673  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.431  -0.592   2.697  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        3.173   0.258   3.142  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        2.663   0.269   0.643  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.976   0.170   0.006  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        4.011  -0.286  -1.305  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        5.061   0.516  -2.031  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        6.108   1.058  -1.332  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        7.032   1.808  -2.071  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.904   1.995  -3.426  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.847   1.444  -4.139  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.308   0.863   0.109  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        4.929   0.697  -3.393  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        5.073   0.428   0.801  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 10