REMARK  Name = BDB049739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.236  -0.279  -0.184  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -0.629  -0.190  -1.109  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1       -3.562  -0.834   0.938  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1       -2.492  -0.598   0.155  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1       -1.269  -0.544   0.711  0.00  0.00    +0.221 A 
ATOM      6  N   LIG    1       -1.047  -0.725   2.018  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1       -2.118  -0.983   2.781  0.00  0.00    +0.118 A 
ATOM      8  C   LIG    1       -3.398  -1.051   2.291  0.00  0.00    +0.063 A 
BRANCH   3  13
ATOM      9  C   LIG    1       -7.773   0.841  -2.070  0.00  0.00    +0.105 C 
ATOM     10  N   LIG    1       -7.331  -0.131  -1.074  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -6.841   0.554   0.140  0.00  0.00    +0.103 C 
ATOM     12  C   LIG    1       -5.984  -0.341   1.065  0.00  0.00    +0.122 C 
ATOM     13  N   LIG    1       -4.822  -0.901   0.351  0.00  0.00    -0.313 N 
ATOM     14  C   LIG    1       -4.868  -0.825  -1.117  0.00  0.00    +0.122 C 
ATOM     15  C   LIG    1       -6.312  -1.054  -1.622  0.00  0.00    +0.103 C 
ENDBRANCH   3  13
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1        1.150  -0.149  -0.065  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        1.900   0.130  -1.215  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.293   0.276  -1.162  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        3.994   0.151   0.046  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        3.243  -0.125   1.196  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        1.847  -0.271   1.138  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.463   0.317   0.040  0.00  0.00    +0.109 A 
ATOM     23  S   LIG    1        6.410   0.159   1.472  0.00  0.00    -0.067 S 
ATOM     24  C   LIG    1        7.845   0.481   0.584  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        7.510   0.690  -0.752  0.00  0.00    +0.079 A 
ATOM     26  C   LIG    1        8.539   0.973  -1.673  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1        9.865   1.040  -1.236  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       10.176   0.829   0.103  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        9.173   0.546   1.036  0.00  0.00    +0.017 A 
ATOM     30  N   LIG    1        6.161   0.594  -1.046  0.00  0.00    -0.239 NA
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 4