REMARK  Name = BDB062237
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.373  -0.386   0.618  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        0.739  -0.914   1.784  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -0.615  -0.722   1.912  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.964  -1.340   3.078  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.100  -1.859   3.645  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.395  -0.037   0.971  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.817   0.427  -0.103  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.175  -1.596   2.826  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.544   0.243  -0.248  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  N   LIG    1        5.597  -0.583  -0.337  0.00  0.00    -0.177 NA
ATOM     11  C   LIG    1        4.643  -1.343  -1.183  0.00  0.00    +0.114 C 
ATOM     12  C   LIG    1        3.242  -0.734  -1.105  0.00  0.00    +0.052 C 
ATOM     13  C   LIG    1        2.810  -0.517   0.330  0.00  0.00    -0.037 C 
ATOM     14  C   LIG    1        3.743  -0.494   1.304  0.00  0.00    -0.006 C 
ATOM     15  C   LIG    1        5.225  -0.613   1.097  0.00  0.00    +0.136 C 
BRANCH  10  16
ATOM     16  S   LIG    1        6.134   0.901  -0.963  0.00  0.00    +0.032 S 
ATOM     17  O   LIG    1        6.301   0.741  -2.392  0.00  0.00    -0.158 OA
ATOM     18  O   LIG    1        5.297   1.950  -0.423  0.00  0.00    -0.158 OA
BRANCH  16  20
ATOM     19  C   LIG    1        8.490   2.267  -0.716  0.00  0.00    +0.029 C 
ATOM     20  C   LIG    1        7.767   1.024  -0.236  0.00  0.00    +0.182 C 
ENDBRANCH  16  20
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  N   LIG    1       -2.751   0.117   1.203  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1       -3.039   0.128   2.176  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.556   1.005   0.363  0.00  0.00    +0.149 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.047   0.676   0.484  0.00  0.00    +0.195 C 
ATOM     25  O   LIG    1       -5.825   1.720  -0.165  0.00  0.00    -0.487 OA
ATOM     26  C   LIG    1       -6.891   1.048  -0.703  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.738  -0.330  -0.704  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.719  -1.152  -1.228  0.00  0.00    +0.045 A 
ATOM     29  C   LIG    1       -8.863  -0.545  -1.744  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -9.018   0.847  -1.746  0.00  0.00    +0.042 A 
ATOM     31  F   LIG    1       -9.835  -1.311  -2.257  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -8.013   1.663  -1.222  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -5.409  -0.677  -0.152  0.00  0.00    +0.085 C 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6