REMARK  Name = BDB033607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.559   2.420   1.412  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        1.324   1.747   0.423  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        2.581   2.314   0.558  0.00  0.00    +0.176 A 
ATOM      4  C   LIG    1        3.702   1.940  -0.175  0.00  0.00    +0.096 A 
ATOM      5  C   LIG    1        3.499   0.909  -1.094  0.00  0.00    +0.138 A 
ATOM      6  C   LIG    1        2.238   0.343  -1.312  0.00  0.00    +0.093 A 
ATOM      7  O   LIG    1        2.540   3.293   1.499  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.122   0.769  -0.573  0.00  0.00    +0.142 A 
ATOM      9  N   LIG    1        1.256   3.392   2.008  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -0.779   2.225   1.743  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.141   2.978   2.330  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -1.231   0.767   2.489  0.00  0.00    +0.082 S 
ATOM     13  O   LIG    1       -0.038  -0.048   2.610  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -1.988   1.147   3.666  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -2.353  -1.371   1.167  0.00  0.00    +0.154 A 
ATOM     16  C   LIG    1       -2.357   0.007   1.379  0.00  0.00    +0.211 A 
ATOM     17  C   LIG    1       -3.271   0.766   0.670  0.00  0.00    +0.246 A 
ATOM     18  N   LIG    1       -4.118   0.234  -0.251  0.00  0.00    -0.216 NA
ATOM     19  C   LIG    1       -4.102  -1.103  -0.441  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -5.073  -1.673  -1.431  0.00  0.00    +0.066 C 
ATOM     21  C   LIG    1       -3.245  -1.938   0.258  0.00  0.00    +0.071 A 
BRANCH  15  23
ATOM     22  C   LIG    1       -0.569  -2.854   1.155  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -1.579  -2.204   1.929  0.00  0.00    -0.493 OA
ENDBRANCH  15  23
BRANCH  17  24
ATOM     24  O   LIG    1       -3.361   2.120   0.909  0.00  0.00    -0.478 OA
ATOM     25  C   LIG    1       -4.395   2.774   0.178  0.00  0.00    +0.279 C 
ENDBRANCH  17  24
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  26
ATOM     26  O   LIG    1        4.556   0.485  -1.862  0.00  0.00    -0.432 OA
BRANCH  26  27
ATOM     27  C   LIG    1        5.377  -0.484  -1.435  0.00  0.00    +0.262 A 
ATOM     28  S   LIG    1        5.222  -1.374   0.034  0.00  0.00    -0.037 S 
ATOM     29  C   LIG    1        6.631  -2.264  -0.360  0.00  0.00    +0.070 A 
ATOM     30  C   LIG    1        7.122  -1.835  -1.572  0.00  0.00    +0.122 A 
ATOM     31  N   LIG    1        6.406  -0.825  -2.182  0.00  0.00    -0.214 NA
ENDBRANCH  26  27
ENDBRANCH   5  26
BRANCH   8  32
ATOM     32  O   LIG    1       -0.142   0.280  -0.756  0.00  0.00    -0.461 OA
BRANCH  32  33
ATOM     33  C   LIG    1       -0.476  -0.097  -2.087  0.00  0.00    +0.444 C 
ATOM     34  F   LIG    1       -0.036  -1.367  -2.284  0.00  0.00    -0.204 F 
ENDBRANCH  32  33
ENDBRANCH   8  32
TORSDOF 9