REMARK  Name = BDB017378
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.062   0.777  -0.019  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        1.621   0.255   0.117  0.00  0.00    +0.237 C 
ATOM      3  O   LIG    1        1.214  -0.679  -0.582  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        0.804   0.897   1.019  0.00  0.00    -0.276 N 
ATOM      5  C   LIG    1        1.232   1.806   2.068  0.00  0.00    +0.135 C 
ATOM      6  C   LIG    1       -0.048   2.100   2.863  0.00  0.00    +0.042 C 
ATOM      7  C   LIG    1       -0.890   0.818   2.701  0.00  0.00    -0.005 C 
ATOM      8  C   LIG    1       -2.371   1.093   2.984  0.00  0.00    +0.013 C 
ATOM      9  C   LIG    1       -0.409  -0.274   3.679  0.00  0.00    +0.013 C 
ATOM     10  S   LIG    1        2.001   3.361   1.550  0.00  0.00    -0.138 S 
ATOM     11  C   LIG    1        2.076   3.165  -0.253  0.00  0.00    +0.073 C 
ATOM     12  C   LIG    1       -0.560   0.403   1.246  0.00  0.00    +0.169 C 
ATOM     13  C   LIG    1        3.096   2.133  -0.727  0.00  0.00    +0.042 C 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1        5.187  -0.316  -0.716  0.00  0.00    +0.230 C 
ATOM     15  N   LIG    1        3.818  -0.223  -0.772  0.00  0.00    -0.303 N 
ATOM     16  H   LIG    1        3.272  -0.858  -1.347  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        5.864   0.469  -0.054  0.00  0.00    -0.274 OA
BRANCH  14  18
ATOM     18  C   LIG    1        5.808  -1.429  -1.603  0.00  0.00    +0.137 C 
ATOM     19  C   LIG    1        5.163  -2.797  -1.379  0.00  0.00    +0.034 C 
BRANCH  18  21
ATOM     20  C   LIG    1        7.754  -2.073  -0.224  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1        7.286  -1.449  -1.457  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1        7.590  -0.470  -1.438  0.00  0.00    +0.122 HD
ENDBRANCH  18  21
ENDBRANCH  14  18
ENDBRANCH   1  15
BRANCH  12  23
ATOM     23  C   LIG    1       -1.502   1.014   0.184  0.00  0.00    +0.235 C 
ATOM     24  N   LIG    1       -2.569   0.206  -0.148  0.00  0.00    -0.307 N 
ATOM     25  H   LIG    1       -2.595  -0.751   0.178  0.00  0.00    +0.149 HD
ATOM     26  O   LIG    1       -1.350   2.140  -0.285  0.00  0.00    -0.274 OA
BRANCH  24  27
ATOM     27  C   LIG    1       -3.547   0.597  -1.153  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1       -4.191  -0.653  -1.723  0.00  0.00    -0.024 A 
ATOM     29  C   LIG    1       -5.497  -1.042  -1.367  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -6.034  -2.223  -1.904  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -5.281  -3.021  -2.765  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.986  -2.645  -3.107  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.364  -0.188  -0.476  0.00  0.00    +0.035 C 
ATOM     34  C   LIG    1       -5.577   0.843   0.328  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1       -3.443  -1.470  -2.590  0.00  0.00    +0.006 A 
ATOM     36  C   LIG    1       -4.581   1.572  -0.568  0.00  0.00    +0.027 C 
ENDBRANCH  24  27
ENDBRANCH  12  23
TORSDOF 5