REMARK  Name = BDB000149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.710  -1.290   0.272  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -1.364  -1.136  -0.932  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -0.779  -1.097  -2.284  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1       -1.967  -1.401  -3.196  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1       -3.153  -0.810  -2.437  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -2.817  -1.104  -0.983  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -1.339  -1.293   1.335  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.181   0.279  -2.653  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -0.579   1.316  -1.844  0.00  0.00    -0.309 N 
ATOM     10  H   LIG    1       -0.908   1.060  -0.920  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        0.514   0.433  -3.655  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -0.006   2.634  -1.983  0.00  0.00    +0.146 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -0.806   3.563  -1.126  0.00  0.00    +0.007 A 
ATOM     14  S   LIG    1       -0.152   4.176   0.337  0.00  0.00    -0.100 S 
ATOM     15  C   LIG    1       -1.598   5.035   0.694  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1       -2.551   4.877  -0.289  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -2.097   4.021  -1.338  0.00  0.00    +0.013 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  18
ATOM     18  C   LIG    1        0.826  -1.480   0.263  0.00  0.00    +0.162 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.339  -0.879   1.488  0.00  0.00    -0.302 N 
ATOM     20  H   LIG    1        0.890  -1.155   2.362  0.00  0.00    +0.150 HD
ATOM     21  C   LIG    1        1.781   0.428   1.512  0.00  0.00    +0.230 C 
ATOM     22  O   LIG    1        2.042   1.077   0.506  0.00  0.00    -0.274 OA
BRANCH  21  23
ATOM     23  C   LIG    1        1.967   0.979   2.939  0.00  0.00    +0.135 C 
ATOM     24  C   LIG    1        3.331   0.573   3.478  0.00  0.00    +0.033 C 
BRANCH  23  25
ATOM     25  N   LIG    1        0.907   0.434   3.816  0.00  0.00    -0.320 NA
ATOM     26  H   LIG    1        1.016   0.838   4.746  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1        0.000   0.763   3.474  0.00  0.00    +0.119 HD
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  18  19
BRANCH  18  29
ATOM     28  C   LIG    1        0.797  -3.821   1.336  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1        1.210  -2.969   0.131  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1        2.715  -3.112  -0.108  0.00  0.00    +0.009 C 
ENDBRANCH  18  29
ENDBRANCH   1  18
TORSDOF 8