REMARK  Name = BDB049733
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.996   0.483  -0.775  0.00  0.00    +0.031 A 
ATOM      2  C   LIG    1       -0.371  -0.040   0.357  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.026  -0.080   0.457  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        1.849   0.394  -0.576  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        1.218   0.913  -1.715  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.181   0.954  -1.811  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.317   0.321  -0.409  0.00  0.00    +0.109 A 
ATOM      8  S   LIG    1        4.407   0.931  -1.597  0.00  0.00    -0.067 S 
ATOM      9  C   LIG    1        5.751   0.458  -0.638  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        5.282  -0.137   0.532  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        6.216  -0.607   1.477  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        7.586  -0.469   1.228  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        8.032   0.128   0.053  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        7.124   0.601  -0.899  0.00  0.00    +0.017 A 
ATOM     15  N   LIG    1        3.905  -0.207   0.648  0.00  0.00    -0.239 NA
ENDBRANCH   4   7
BRANCH   1  16
ATOM     16  N   LIG    1       -2.391   0.509  -0.937  0.00  0.00    -0.314 N 
ATOM     17  H   LIG    1       -2.720   1.209  -1.594  0.00  0.00    +0.152 HD
BRANCH  16  22
ATOM     18  C   LIG    1       -5.723  -0.578   0.229  0.00  0.00    +0.120 A 
ATOM     19  N   LIG    1       -5.516  -1.840   0.642  0.00  0.00    -0.240 NA
ATOM     20  C   LIG    1       -4.261  -2.327   0.535  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -3.192  -1.609   0.027  0.00  0.00    +0.043 A 
ATOM     22  C   LIG    1       -3.413  -0.312  -0.425  0.00  0.00    +0.036 A 
ATOM     23  C   LIG    1       -4.707   0.204  -0.312  0.00  0.00    +0.066 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -7.162   1.064   1.195  0.00  0.00    +0.127 C 
ATOM     25  N   LIG    1       -7.035  -0.114   0.352  0.00  0.00    -0.332 N 
ATOM     26  H   LIG    1       -7.529  -0.909   0.759  0.00  0.00    +0.147 HD
ENDBRANCH  18  25
ENDBRANCH  16  22
ENDBRANCH   1  16
TORSDOF 4