REMARK  Name = BDB053931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.558   0.406  -0.008  0.00  0.00    +0.253 C 
ATOM      2  N   LIG    1       -0.218   0.362  -1.154  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1        0.273   0.491  -2.028  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.059   0.639   1.089  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.092  -1.491  -2.180  0.00  0.00    +0.067 C 
ATOM      6  C   LIG    1        2.658  -0.584  -1.145  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        1.975   0.192  -0.223  0.00  0.00    +0.097 A 
ATOM      8  S   LIG    1        3.102   0.964   0.815  0.00  0.00    -0.062 S 
ATOM      9  C   LIG    1        4.412   0.273  -0.058  0.00  0.00    +0.109 A 
ATOM     10  N   LIG    1        4.040  -0.505  -1.058  0.00  0.00    -0.243 NA
BRANCH   9  11
ATOM     11  C   LIG    1        5.825   0.536   0.291  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        6.835  -0.034  -0.509  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        8.192   0.174  -0.236  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1        8.559   0.966   0.856  0.00  0.00    +0.126 A 
ATOM     15  C   LIG    1        7.578   1.544   1.669  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        6.223   1.328   1.384  0.00  0.00    +0.013 A 
BRANCH  14  17
ATOM     17  N   LIG    1        9.979   1.191   1.151  0.00  0.00    +0.056 N 
ATOM     18  O   LIG    1       10.259   1.900   2.128  0.00  0.00    -0.126 OA
ATOM     19  O   LIG    1       10.814   0.660   0.405  0.00  0.00    -0.126 OA
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1       -1.644   0.713  -1.127  0.00  0.00    +0.090 C 
ATOM     21  C   LIG    1       -2.464  -0.241  -0.211  0.00  0.00    +0.127 C 
ATOM     22  N   LIG    1       -3.827  -0.427  -0.746  0.00  0.00    -0.328 N 
ATOM     23  C   LIG    1       -3.894  -1.078  -2.061  0.00  0.00    +0.105 C 
ATOM     24  C   LIG    1       -2.728  -0.644  -2.957  0.00  0.00    +0.021 C 
ATOM     25  C   LIG    1       -2.201   0.732  -2.564  0.00  0.00    +0.025 C 
BRANCH  22  26
ATOM     26  C   LIG    1       -4.868  -0.610   0.168  0.00  0.00    +0.031 A 
ATOM     27  C   LIG    1       -4.998   0.235   1.284  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1       -6.044   0.092   2.209  0.00  0.00    +0.061 A 
ATOM     29  C   LIG    1       -6.999  -0.909   2.028  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1       -6.908  -1.746   0.922  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -5.862  -1.589   0.004  0.00  0.00    +0.023 A 
BRANCH  28  32
ATOM     32  C   LIG    1       -6.102   1.033   3.354  0.00  0.00    +0.337 C 
ATOM     33  O   LIG    1       -5.335   1.953   3.567  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -7.127   0.778   4.189  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1       -7.033   1.464   4.882  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  28  32
ENDBRANCH  22  26
ENDBRANCH   2  20
TORSDOF 7