REMARK  Name = BDB015984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.347   2.099   0.505  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1       -0.686   0.953  -0.213  0.00  0.00    +0.132 A 
ATOM      3  N   LIG    1        0.250   0.054  -0.592  0.00  0.00    -0.212 NA
ATOM      4  C   LIG    1        1.535   0.275  -0.254  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1        1.955   1.347   0.434  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1        1.003   2.236   0.783  0.00  0.00    +0.127 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -4.275   5.021   2.442  0.00  0.00    +0.075 C 
ATOM      8  C   LIG    1       -3.018   4.480   1.867  0.00  0.00    +0.099 A 
ATOM      9  S   LIG    1       -2.825   2.798   1.598  0.00  0.00    -0.051 S 
ATOM     10  C   LIG    1       -1.262   3.145   0.956  0.00  0.00    +0.137 A 
ATOM     11  N   LIG    1       -0.951   4.427   1.021  0.00  0.00    -0.141 NA
ATOM     12  N   LIG    1       -1.971   5.201   1.532  0.00  0.00    -0.146 NA
ENDBRANCH   1  10
BRANCH   4  13
ATOM     13  C   LIG    1        2.540  -0.725  -0.667  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        3.897  -0.601  -0.297  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        4.867  -1.542  -0.680  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        4.469  -2.641  -1.450  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        3.137  -2.792  -1.831  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        2.187  -1.844  -1.444  0.00  0.00    +0.011 A 
BRANCH  15  19
ATOM     19  C   LIG    1        6.258  -1.394  -0.285  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        6.895  -0.194  -0.040  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1        8.184  -0.501   0.284  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1        9.238   0.424   0.623  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1        8.443  -1.820   0.265  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1        7.271  -2.360  -0.083  0.00  0.00    +0.142 A 
ENDBRANCH  15  19
ENDBRANCH   4  13
BRANCH   2  25
ATOM     25  N   LIG    1       -1.999   0.746  -0.658  0.00  0.00    -0.327 N 
ATOM     26  H   LIG    1       -2.681   0.910   0.085  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.281  -0.548  -1.283  0.00  0.00    +0.118 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.815  -0.723  -1.396  0.00  0.00    +0.103 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -4.525  -0.443  -0.123  0.00  0.00    -0.297 NA
ATOM     30  C   LIG    1       -5.984  -0.315  -0.344  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -6.699  -1.652  -0.604  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1       -6.459  -2.584   0.457  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1       -5.056  -2.807   0.632  0.00  0.00    +0.175 C 
ATOM     34  C   LIG    1       -4.307  -1.490   0.903  0.00  0.00    +0.112 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   2  25
TORSDOF 7