REMARK  Name = BDB033715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.428   1.398  -0.777  0.00  0.00    +0.237 A 
ATOM      2  C   LIG    1       -3.451   2.764  -0.934  0.00  0.00    +0.131 A 
ATOM      3  C   LIG    1       -2.221   3.369  -0.879  0.00  0.00    +0.138 A 
ATOM      4  N   LIG    1       -1.066   2.696  -0.692  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1       -1.146   1.367  -0.555  0.00  0.00    +0.219 A 
ATOM      6  N   LIG    1       -2.295   0.685  -0.602  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -4.640   3.516  -1.138  0.00  0.00    +0.106 C 
ATOM      8  N   LIG    1       -5.581   4.173  -1.314  0.00  0.00    -0.191 NA
ENDBRANCH   2   7
BRANCH   5   9
ATOM      9  N   LIG    1       -0.007   0.600  -0.352  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1       -0.275  -0.344  -0.615  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        1.227   1.102  -0.963  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        1.917   2.119  -0.036  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1        3.163   1.552   0.628  0.00  0.00    +0.111 C 
ATOM     14  N   LIG    1        4.107   1.102  -0.407  0.00  0.00    -0.181 NA
ATOM     15  C   LIG    1        3.565   0.338  -1.544  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1        2.132  -0.099  -1.277  0.00  0.00    +0.039 C 
BRANCH  14  17
ATOM     17  S   LIG    1        5.754   1.052  -0.074  0.00  0.00    +0.032 S 
ATOM     18  O   LIG    1        6.443   0.644  -1.281  0.00  0.00    -0.158 OA
ATOM     19  O   LIG    1        6.091   2.306   0.570  0.00  0.00    -0.158 OA
BRANCH  17  20
ATOM     20  C   LIG    1        5.932  -0.232   1.179  0.00  0.00    +0.188 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.385  -1.523   0.652  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1        6.207  -2.427  -0.231  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        5.931  -2.824   1.191  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  24
ATOM     24  O   LIG    1       -4.629   0.726  -0.843  0.00  0.00    -0.469 OA
BRANCH  24  27
ATOM     25  C   LIG    1       -3.597  -0.601   2.005  0.00  0.00    +0.045 C 
ATOM     26  C   LIG    1       -4.854  -0.759   1.159  0.00  0.00    +0.106 C 
ATOM     27  C   LIG    1       -4.619  -0.620  -0.369  0.00  0.00    +0.212 C 
ATOM     28  C   LIG    1       -5.838  -1.336  -0.942  0.00  0.00    +0.123 C 
ATOM     29  C   LIG    1       -5.873  -2.572  -0.081  0.00  0.00    +0.255 C 
ATOM     30  F   LIG    1       -4.942  -3.454  -0.529  0.00  0.00    -0.205 F 
ATOM     31  F   LIG    1       -7.064  -3.194  -0.127  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -5.506  -2.144   1.331  0.00  0.00    +0.113 C 
BRANCH  26  33
ATOM     33  O   LIG    1       -5.808   0.224   1.589  0.00  0.00    -0.385 OA
ATOM     34  H   LIG    1       -5.883   0.184   2.559  0.00  0.00    +0.210 HD
ENDBRANCH  26  33
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 9