REMARK  Name = BDB014434
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.958  -2.096   1.442  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.464  -1.075   0.664  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.780  -0.134   0.875  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.472  -3.225   1.459  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.149  -1.708   2.324  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        2.791  -0.486   1.979  0.00  0.00    -0.483 OA
BRANCH   6   9
ATOM      7  C   LIG    1        5.537   0.735  -0.046  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        4.529   0.637   0.914  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        3.756  -0.524   1.010  0.00  0.00    +0.123 A 
ATOM     10  C   LIG    1        3.998  -1.583   0.133  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        5.019  -1.487  -0.818  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        5.794  -0.332  -0.903  0.00  0.00    +0.025 A 
BRANCH   7  13
ATOM     13  N   LIG    1        6.350   1.906  -0.102  0.00  0.00    -0.221 N 
ATOM     14  H   LIG    1        5.869   2.772   0.152  0.00  0.00    +0.173 HD
BRANCH  13  16
ATOM     15  C   LIG    1        8.969   1.678  -0.627  0.00  0.00    +0.218 C 
ATOM     16  S   LIG    1        7.828   1.856   0.726  0.00  0.00    +0.040 S 
ATOM     17  O   LIG    1        7.905   0.679   1.561  0.00  0.00    -0.155 OA
ATOM     18  O   LIG    1        8.005   3.185   1.273  0.00  0.00    -0.155 OA
ENDBRANCH  13  16
ENDBRANCH   7  13
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1       -0.763  -1.213  -0.104  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.007  -1.034   0.779  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.038   0.306   1.300  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -2.897   0.421   1.743  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -3.318  -1.394   0.036  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.511  -0.800  -1.303  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -3.656   0.668  -1.298  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -4.976   1.164  -0.749  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.127   0.358  -0.816  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.350   0.852  -0.342  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -7.433   2.143   0.177  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.298   2.949   0.232  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.035  -1.059  -1.331  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -5.075   2.464  -0.233  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -4.683  -1.378  -1.991  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 10