REMARK  Name = BDB032959
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.423  -0.290  -1.535  0.00  0.00    -0.305 N 
ATOM      2  H   LIG    1       -0.139   0.143  -0.809  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.123  -1.550  -1.985  0.00  0.00    +0.245 C 
ATOM      4  O   LIG    1        0.750  -2.135  -2.859  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.079  -2.162  -1.371  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.198  -2.410   0.011  0.00  0.00    -0.031 A 
ATOM      7  C   LIG    1       -2.427  -2.918   0.477  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -3.477  -3.200  -0.400  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.326  -2.981  -1.765  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.129  -2.462  -2.251  0.00  0.00    +0.013 A 
BRANCH   6  11
ATOM     11  C   LIG    1       -0.064  -2.163   0.989  0.00  0.00    +0.035 C 
ATOM     12  C   LIG    1        0.186  -3.305   1.996  0.00  0.00    +0.089 C 
ATOM     13  N   LIG    1       -0.224  -2.775   3.301  0.00  0.00    -0.315 NA
ATOM     14  H   LIG    1        0.276  -3.249   4.051  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1        0.125  -1.357   3.260  0.00  0.00    +0.081 C 
ATOM     16  C   LIG    1       -0.314  -0.931   1.871  0.00  0.00    +0.024 C 
ENDBRANCH   6  11
ENDBRANCH   3   5
BRANCH   1  17
ATOM     17  C   LIG    1        1.578   0.425  -2.032  0.00  0.00    +0.169 C 
BRANCH  17  20
ATOM     18  C   LIG    1        1.899   4.083  -0.887  0.00  0.00    +0.102 A 
ATOM     19  S   LIG    1        2.233   3.134  -2.280  0.00  0.00    -0.054 S 
ATOM     20  C   LIG    1        1.633   1.779  -1.409  0.00  0.00    +0.119 A 
ATOM     21  N   LIG    1        1.233   2.065  -0.185  0.00  0.00    -0.145 NA
ATOM     22  N   LIG    1        1.395   3.399   0.119  0.00  0.00    -0.146 NA
BRANCH  18  24
ATOM     23  C   LIG    1        0.874   6.351  -0.877  0.00  0.00    +0.011 C 
ATOM     24  C   LIG    1        2.167   5.553  -0.863  0.00  0.00    +0.061 C 
ENDBRANCH  18  24
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 5