REMARK  Name = BDB049854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.183  -0.709   0.809  0.00  0.00    -0.342 N 
ATOM      2  C   LIG    1        0.442  -1.649   0.010  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1        1.610  -1.053  -0.485  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        2.425  -1.796  -1.367  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        2.070  -3.104  -1.711  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.914  -3.679  -1.195  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        1.674   0.261   0.064  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.080  -2.964  -0.331  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        0.554   0.451   0.838  0.00  0.00    +0.095 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        2.657   1.274  -0.141  0.00  0.00    +0.030 C 
ATOM     11  C   LIG    1        3.964   1.206   0.145  0.00  0.00    +0.080 C 
ATOM     12  C   LIG    1        4.877   2.351  -0.105  0.00  0.00    +0.258 C 
ATOM     13  O   LIG    1        4.555   3.422  -0.594  0.00  0.00    -0.269 OA
ATOM     14  N   LIG    1        6.139   2.031   0.295  0.00  0.00    -0.243 N 
ATOM     15  H   LIG    1        6.896   2.688   0.206  0.00  0.00    +0.159 HD
ATOM     16  C   LIG    1        6.346   0.805   0.839  0.00  0.00    +0.283 C 
ATOM     17  O   LIG    1        7.412   0.379   1.251  0.00  0.00    -0.262 OA
ATOM     18  S   LIG    1        4.844  -0.091   0.866  0.00  0.00    -0.026 S 
ENDBRANCH   7  10
BRANCH   1  19
ATOM     19  C   LIG    1       -1.420  -0.904   1.558  0.00  0.00    +0.157 C 
BRANCH  19  24
ATOM     20  C   LIG    1       -5.918   1.911  -0.857  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -4.779   1.168  -0.224  0.00  0.00    -0.050 A 
ATOM     22  C   LIG    1       -4.280   1.562   1.022  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -3.196   0.892   1.596  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -2.584  -0.178   0.930  0.00  0.00    -0.028 A 
ATOM     25  C   LIG    1       -3.080  -0.562  -0.324  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.162   0.109  -0.898  0.00  0.00    +0.004 A 
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 3