REMARK  Name = BDB028538
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.683  -2.266  -0.757  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.406  -1.097  -0.506  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.358  -0.123  -0.359  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1       -3.773  -0.428  -0.523  0.00  0.00    +0.128 C 
ATOM      5  C   LIG    1       -4.461   0.953  -0.516  0.00  0.00    +0.075 C 
ATOM      6  C   LIG    1       -3.559   1.746   0.445  0.00  0.00    +0.039 C 
ATOM      7  C   LIG    1       -2.163   1.251   0.079  0.00  0.00    +0.111 C 
ATOM      8  N   LIG    1       -0.119  -0.665  -0.329  0.00  0.00    -0.297 N 
ATOM      9  H   LIG    1        0.057   0.286  -0.623  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  10
ATOM     10  N   LIG    1       -5.920   1.005  -0.279  0.00  0.00    -0.297 NA
ATOM     11  C   LIG    1       -6.333   0.415   1.008  0.00  0.00    +0.095 C 
ATOM     12  C   LIG    1       -7.846   0.250   1.230  0.00  0.00    +0.084 C 
ATOM     13  S   LIG    1       -8.638   1.769   1.839  0.00  0.00    -0.159 S 
ATOM     14  C   LIG    1       -8.876   2.672   0.283  0.00  0.00    +0.070 C 
ATOM     15  C   LIG    1       -7.908   2.403  -0.861  0.00  0.00    +0.026 C 
ATOM     16  C   LIG    1       -6.427   2.374  -0.480  0.00  0.00    +0.085 C 
ENDBRANCH   5  10
BRANCH   8  17
ATOM     17  C   LIG    1        0.992  -1.565  -0.583  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.312  -0.942  -0.121  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.522   0.295  -0.826  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        3.492   0.434  -0.786  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        3.501  -1.886  -0.400  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.795  -1.208  -0.155  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        5.884  -1.970  -0.807  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        7.268  -1.445  -0.494  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        7.500  -0.653   0.644  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        8.796  -0.205   0.931  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        9.862  -0.563   0.107  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        9.641  -1.364  -1.011  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.344  -0.236   1.515  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        8.351  -1.806  -1.309  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        5.090  -1.093   1.286  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   8  17
TORSDOF 6