@<TRIPOS>MOLECULE
BindingDB_11422
 56 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.2277    3.7778   14.5821  C     
2    C        -2.8800    4.9972   14.0858  C     
3    N        -3.6202    6.1247   14.3680  N     
4    S        -5.2377    6.0467   14.8716  S     
5    O        -5.5603    6.9073   16.1702  O     
6    O        -6.3038    6.2135   13.7034  O     
7    C        -4.4021    3.4922   15.2678  C     
8    C        -5.4109    4.4387   15.4401  C     
9    C        -4.7360    2.2370   15.8184  C     
10   C        -6.0031    2.1843   16.4190  C     
11   S        -6.7329    3.7286   16.2718  S     
12   N        -6.1775    0.7439   18.8165  N     
13   S        -6.7102    0.8373   17.2302  S     
14   O        -8.2990    0.8551   17.1886  O     
15   O        -6.2606   -0.4985   16.4967  O     
16   C        -1.6857    5.0376   13.2074  C     
17   C        -3.1239    7.4015   14.3469  C     
18   C        -2.9398    8.0776   13.1198  C     
19   C        -2.4346    9.3957   13.0854  C     
20   C        -2.1339   10.0565   14.2986  C     
21   C        -2.3317    9.3948   15.5275  C     
22   C        -2.8244    8.0771   15.5509  C     
23   O        -2.1599   10.0162   11.8927  O     
24   C        -3.3084   10.4551   11.1481  C     
25   C        -1.1990    2.2344   10.5569  C     
26   C        -1.2352    2.8682   11.9732  C     
27   C        -3.0709    4.3452   11.1974  C     
28   C        -2.9999    3.6473    9.8150  C     
29   N        -1.7541    4.2717   11.9065  N     
30   O        -2.4990    2.2988    9.9411  O     
31   O        -1.5770   11.3088   14.3067  O     
32   C        -2.5454   12.3713   14.3409  C     
33   H        -2.6137    3.0123   14.4330  H     
34   H        -4.1056    1.4285   15.8031  H     
35   H        -5.4435    0.1525   19.0419  H     
36   H        -6.4895    1.3967   19.4640  H     
37   H        -1.4644    6.0681   12.9222  H     
38   H        -0.8114    4.7242   13.7841  H     
39   H        -3.1581    7.5982   12.2466  H     
40   H        -2.1094    9.8683   16.4055  H     
41   H        -2.9727    7.6170   16.4520  H     
42   H        -3.8876    9.6075   10.7779  H     
43   H        -2.9552   11.0233   10.2871  H     
44   H        -3.9555   11.1027   11.7440  H     
45   H        -0.4594    2.7417    9.9286  H     
46   H        -0.9071    1.1850   10.6370  H     
47   H        -1.8726    2.2531   12.6144  H     
48   H        -0.2208    2.8587   12.3802  H     
49   H        -3.3558    5.3878   11.0403  H     
50   H        -3.8515    3.8615   11.7898  H     
51   H        -4.0017    3.6007    9.3794  H     
52   H        -2.3615    4.2178    9.1302  H     
53   H        -1.0950    4.7535   11.2903  H     
54   H        -3.1080   12.4158   13.4066  H     
55   H        -2.0134   13.3155   14.4596  H     
56   H        -3.2432   12.2640   15.1755  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    2   16 1
     5    3    4 1
     6    3   17 1
     7    4    5 2
     8    4    6 2
     9    4    8 1
    10    7    8 2
    11    7    9 1
    12    8   11 1
    13    9   10 2
    14   10   11 1
    15   10   13 1
    16   12   13 am
    17   13   14 2
    18   13   15 2
    19   16   29 1
    20   17   18 2
    21   17   22 1
    22   18   19 1
    23   19   20 2
    24   19   23 1
    25   20   21 1
    26   20   31 1
    27   21   22 2
    28   23   24 1
    29   25   26 1
    30   25   30 1
    31   26   29 1
    32   27   28 1
    33   27   29 1
    34   28   30 1
    35   31   32 1
    36    1   33 1
    37    9   34 1
    38   12   35 1
    39   12   36 1
    40   16   37 1
    41   16   38 1
    42   18   39 1
    43   21   40 1
    44   22   41 1
    45   24   42 1
    46   24   43 1
    47   24   44 1
    48   25   45 1
    49   25   46 1
    50   26   47 1
    51   26   48 1
    52   27   49 1
    53   27   50 1
    54   28   51 1
    55   28   52 1
    56   29   53 1
    57   32   54 1
    58   32   55 1
    59   32   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.6311
  Crash		| -1.9893
  Polar		| 2.1523
  FragIndex	| 1
  FragRMSD	| 1.090