REMARK  Name = BDB038889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.611  -2.022  -0.419  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        4.117  -0.735  -0.174  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1        2.720  -0.515  -0.158  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1        1.870  -1.594  -0.384  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1        0.584  -1.118  -0.306  0.00  0.00    -0.352 N 
ATOM      6  H   LIG    1       -0.241  -1.692  -0.406  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1        0.567   0.238  -0.062  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1       -0.500   1.133   0.084  0.00  0.00    +0.096 A 
ATOM      9  N   LIG    1       -0.211   2.421   0.400  0.00  0.00    -0.238 NA
ATOM     10  CA  LIG    1        1.079   2.822   0.520  0.00  0.00    +0.149 A 
ATOM     11  C   LIG    1        2.173   1.981   0.352  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1        2.338  -2.888  -0.628  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        1.898   0.637   0.060  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.724  -3.076  -0.642  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1       -1.915   0.773  -0.052  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -2.385  -0.007  -1.125  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -3.739  -0.341  -1.240  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1       -4.642   0.111  -0.279  0.00  0.00    +0.088 A 
ATOM     19  C   LIG    1       -4.213   0.918   0.775  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1       -2.858   1.241   0.883  0.00  0.00    +0.012 A 
BRANCH  18  21
ATOM     21  S   LIG    1       -6.368  -0.290  -0.423  0.00  0.00    -0.006 S 
ATOM     22  O   LIG    1       -6.583  -0.838  -1.748  0.00  0.00    -0.170 OA
ATOM     23  O   LIG    1       -7.122   0.858   0.043  0.00  0.00    -0.170 OA
ATOM     24  C   LIG    1       -6.578  -1.606   0.748  0.00  0.00    +0.200 C 
ENDBRANCH  18  21
ENDBRANCH   8  15
BRANCH   1  26
ATOM     25  C   LIG    1        6.884  -1.339  -0.253  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        5.933  -2.375  -0.465  0.00  0.00    -0.495 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1        1.268   4.269   0.863  0.00  0.00    +0.355 C 
ATOM     28  O   LIG    1        0.397   5.093   1.080  0.00  0.00    -0.243 OA
BRANCH  27  29
ATOM     29  OXT LIG    1        2.568   4.631   0.924  0.00  0.00    -0.476 OA
ATOM     30  HXT LIG    1        2.518   5.585   1.147  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  10  27
TORSDOF 5