REMARK  Name = BDB060314
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.099  -0.267  -0.362  0.00  0.00    -0.184 N 
ATOM      2  H   LIG    1        0.170  -0.277  -1.347  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.110  -0.190   0.448  0.00  0.00    +0.231 A 
ATOM      4  N   LIG    1        1.300  -0.535   1.755  0.00  0.00    -0.245 N 
ATOM      5  H   LIG    1        0.629  -0.948   2.397  0.00  0.00    +0.192 HD
ATOM      6  N   LIG    1        2.560  -0.282   2.145  0.00  0.00    -0.151 NA
ATOM      7  C   LIG    1        3.100   0.225   1.023  0.00  0.00    +0.183 A 
ATOM      8  N   LIG    1        2.222   0.294  -0.041  0.00  0.00    -0.192 NA
BRANCH   7   9
ATOM      9  C   LIG    1        4.485   0.670   0.917  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        5.355   0.579   2.006  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1        6.659   1.017   1.848  0.00  0.00    +0.111 A 
ATOM     12  N   LIG    1        7.144   1.531   0.698  0.00  0.00    -0.263 NA
ATOM     13  C   LIG    1        6.287   1.609  -0.342  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1        4.967   1.198  -0.283  0.00  0.00    +0.031 A 
ENDBRANCH   7   9
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1       -1.084  -1.580   0.023  0.00  0.00    +0.075 S 
ATOM     16  O   LIG    1       -0.692  -2.670  -0.843  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -1.121  -1.728   1.465  0.00  0.00    -0.150 OA
BRANCH  15  22
ATOM     18  C   LIG    1       -6.538   0.440  -1.703  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -5.175  -0.039  -1.295  0.00  0.00    -0.050 A 
ATOM     20  C   LIG    1       -4.507  -1.006  -2.059  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -3.254  -1.478  -1.666  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1       -2.669  -0.981  -0.499  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1       -3.333  -0.035   0.286  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1       -4.585   0.432  -0.114  0.00  0.00    +0.005 A 
ENDBRANCH  15  22
ENDBRANCH   1  15
TORSDOF 4