@<TRIPOS>MOLECULE
BindingDB_14264
 35 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        44.7336   14.8944    0.9688  C     
2    C        45.6771   14.5497    1.9478  C     
3    C        46.1185   13.2129    1.8826  C     
4    C        45.5685   12.4574    0.8361  C     
5    S        44.4703   13.4905    0.0100  S     
6    O        46.1598   15.4621    2.8461  O     
7    C        45.7776   15.2418    4.2137  C     
8    C        45.5974   16.5596    4.8460  C     
9    O        44.3410   17.0352    5.0007  O     
10   O        46.5334   17.0242    5.7026  O     
11   C        44.0998   16.1283    0.7593  C     
12   O        43.1828   16.2743   -0.2214  O     
13   O        44.3129   17.1932    1.5617  O     
14   Br       47.2778   12.4776    3.1343  Br    
15   C        45.8704   11.1208    0.4945  C     
16   C        47.5252    9.3896   -0.0201  C     
17   C        47.2073   10.7365    0.2293  C     
18   C        44.8596   10.1354    0.4855  C     
19   C        45.1857    8.7851    0.2597  C     
20   C        46.5214    8.3996    0.0160  C     
21   N        46.8134    7.0782   -0.1119  N     
22   C        47.1795    6.4590   -1.2565  C     
23   O        47.3958    5.1227   -1.1977  O     
24   O        47.2704    7.1330   -2.4350  O     
25   C        47.5661    6.5722   -3.7155  C     
26   H        44.8417   14.6775    4.3046  H     
27   H        46.5656   14.6934    4.7367  H     
28   H        48.4997    9.1301   -0.1937  H     
29   H        47.9566   11.4322    0.2356  H     
30   H        43.8886   10.3848    0.6864  H     
31   H        44.4448    8.0806    0.2755  H     
32   H        46.6862    6.5194    0.6746  H     
33   H        48.5356    6.0714   -3.7005  H     
34   H        47.5919    7.3754   -4.4500  H     
35   H        46.7914    5.8583   -4.0012  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1   11 1
     4    2    3 1
     5    2    6 1
     6    3    4 2
     7    3   14 1
     8    4    5 1
     9    4   15 1
    10    6    7 1
    11    7    8 1
    12    8    9 2
    13    8   10 1
    14   11   12 2
    15   11   13 1
    16   15   17 2
    17   15   18 1
    18   16   17 1
    19   16   20 2
    20   18   19 2
    21   19   20 1
    22   20   21 1
    23   21   22 am
    24   22   23 2
    25   22   24 1
    26   24   25 1
    27    7   26 1
    28    7   27 1
    29   16   28 1
    30   17   29 1
    31   18   30 1
    32   19   31 1
    33   21   32 1
    34   25   33 1
    35   25   34 1
    36   25   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.2875
  Crash		| -1.6272
  Polar		| 7.7361
  FragIndex	| 1
  FragRMSD	| 1.187