REMARK  Name = BDB033706
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.877  -0.452   0.986  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -2.139  -0.737   0.621  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -2.851  -1.555   1.433  0.00  0.00    +0.237 A 
ATOM      4  C   LIG    1       -2.367  -2.073   2.609  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1       -1.075  -1.721   2.900  0.00  0.00    +0.138 A 
ATOM      6  N   LIG    1       -0.321  -0.927   2.109  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -0.180   0.371   0.107  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1       -0.769   0.609  -0.677  0.00  0.00    +0.155 HD
BRANCH   7  12
ATOM      9  C   LIG    1        3.662   2.104  -0.015  0.00  0.00    +0.105 A 
ATOM     10  C   LIG    1        2.766   2.289  -1.065  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        1.498   1.703  -0.997  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        1.100   0.937   0.115  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        2.020   0.777   1.158  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        3.292   1.360   1.104  0.00  0.00    +0.030 A 
BRANCH   9  15
ATOM     15  S   LIG    1        5.265   2.859  -0.092  0.00  0.00    +0.059 S 
ATOM     16  O   LIG    1        5.122   4.122  -0.782  0.00  0.00    -0.153 OA
ATOM     17  O   LIG    1        5.891   2.767   1.208  0.00  0.00    -0.153 OA
BRANCH  15  18
ATOM     18  N   LIG    1        6.074   1.840  -1.143  0.00  0.00    -0.187 NA
ATOM     19  H   LIG    1        6.490   2.304  -1.949  0.00  0.00    +0.148 HD
BRANCH  18  21
ATOM     20  C   LIG    1        8.096   0.715  -0.374  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1        6.611   0.559  -0.678  0.00  0.00    +0.070 C 
ATOM     22  C   LIG    1        6.384  -0.479  -1.772  0.00  0.00    +0.025 C 
ENDBRANCH  18  21
ENDBRANCH  15  18
ENDBRANCH   9  15
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  23
ATOM     23  C   LIG    1       -3.121  -2.919   3.468  0.00  0.00    +0.106 C 
ATOM     24  N   LIG    1       -3.700  -3.620   4.189  0.00  0.00    -0.191 NA
ENDBRANCH   4  23
BRANCH   3  25
ATOM     25  O   LIG    1       -4.154  -1.857   1.089  0.00  0.00    -0.469 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -4.547  -1.489  -0.243  0.00  0.00    +0.206 C 
ATOM     27  C   LIG    1       -5.174  -0.075  -0.297  0.00  0.00    +0.100 C 
ATOM     28  C   LIG    1       -5.296   0.443  -1.733  0.00  0.00    +0.045 C 
ATOM     29  C   LIG    1       -6.543  -0.291   0.348  0.00  0.00    +0.038 C 
ATOM     30  C   LIG    1       -6.979  -1.692  -0.081  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1       -5.726  -2.397  -0.613  0.00  0.00    +0.047 C 
BRANCH  27  32
ATOM     32  O   LIG    1       -4.453   0.906   0.442  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -3.507   0.671   0.387  0.00  0.00    +0.210 HD
ENDBRANCH  27  32
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 9