REMARK  Name = BDB033699
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.970  -0.308  -0.235  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -1.702  -0.837   0.216  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -2.530   3.410  -1.085  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -3.254   2.389  -0.519  0.00  0.00    +0.237 A 
ATOM      5  N   LIG    1       -2.740   1.169  -0.252  0.00  0.00    -0.178 NA
ATOM      6  C   LIG    1       -1.451   0.956  -0.558  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1       -0.671   1.896  -1.112  0.00  0.00    -0.221 NA
ATOM      8  C   LIG    1       -1.223   3.101  -1.363  0.00  0.00    +0.138 A 
BRANCH   3  10
ATOM      9  N   LIG    1       -3.456   5.754  -1.650  0.00  0.00    -0.191 NA
ATOM     10  C   LIG    1       -3.066   4.694  -1.379  0.00  0.00    +0.106 C 
ENDBRANCH   3  10
BRANCH   4  11
ATOM     11  O   LIG    1       -4.576   2.639  -0.216  0.00  0.00    -0.470 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -5.292   1.554   0.371  0.00  0.00    +0.203 C 
ATOM     13  C   LIG    1       -6.803   1.836   0.347  0.00  0.00    +0.155 C 
ATOM     14  C   LIG    1       -7.344   0.799   1.322  0.00  0.00    +0.035 C 
ATOM     15  C   LIG    1       -6.272   0.689   2.414  0.00  0.00    +0.006 C 
ATOM     16  C   LIG    1       -5.023   1.383   1.866  0.00  0.00    +0.047 C 
BRANCH  13  17
ATOM     17  O   LIG    1       -7.100   3.140   0.847  0.00  0.00    -0.388 OA
ATOM     18  H   LIG    1       -8.051   3.293   0.713  0.00  0.00    +0.210 HD
ENDBRANCH  13  17
ENDBRANCH  11  12
ENDBRANCH   4  11
ENDBRANCH   1   6
BRANCH   1  19
ATOM     19  C   LIG    1        0.251  -0.962  -0.435  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        0.452  -2.208   0.187  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        1.658  -2.904   0.056  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1        2.687  -2.351  -0.703  0.00  0.00    +0.105 A 
ATOM     23  C   LIG    1        2.513  -1.121  -1.336  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1        1.303  -0.432  -1.191  0.00  0.00    +0.025 A 
BRANCH  22  25
ATOM     25  S   LIG    1        4.221  -3.214  -0.893  0.00  0.00    +0.059 S 
ATOM     26  O   LIG    1        4.595  -3.171  -2.288  0.00  0.00    -0.153 OA
ATOM     27  O   LIG    1        4.150  -4.455  -0.153  0.00  0.00    -0.153 OA
BRANCH  25  28
ATOM     28  N   LIG    1        5.275  -2.225  -0.012  0.00  0.00    -0.187 NA
ATOM     29  H   LIG    1        5.536  -2.721   0.842  0.00  0.00    +0.148 HD
BRANCH  28  30
ATOM     30  C   LIG    1        6.391  -1.451  -0.645  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1        7.674  -2.243  -0.997  0.00  0.00    +0.020 C 
ATOM     32  C   LIG    1        8.260  -1.786   0.352  0.00  0.00    +0.003 C 
ATOM     33  C   LIG    1        7.268  -0.609   0.313  0.00  0.00    +0.020 C 
ENDBRANCH  28  30
ENDBRANCH  25  28
ENDBRANCH  22  25
ENDBRANCH   1  19
TORSDOF 9