@<TRIPOS>MOLECULE
BindingDB_11392
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.2720    3.6286   13.8996  C     
2    N        -3.9965    6.0070   13.5146  N     
3    S        -5.4220    5.8799   14.4241  S     
4    O        -6.7399    5.9776   13.5366  O     
5    O        -5.4240    6.8779   15.6651  O     
6    C        -4.3714    3.3650   14.8739  C     
7    C        -5.3784    4.3056   15.1366  C     
8    C        -4.4998    2.2050   15.6646  C     
9    C        -5.6106    2.1998   16.5085  C     
10   S        -6.4585    3.6808   16.3157  S     
11   N        -7.1735    1.3354   18.7771  N     
12   S        -6.0772    0.9309   17.5797  S     
13   O        -6.7425   -0.2623   16.7662  O     
14   O        -4.8144    0.2640   18.2767  O     
15   N        -2.9592    2.4032   13.1413  N     
16   C        -3.5730    4.7754   12.8751  C     
17   C        -3.6406    7.3141   13.0086  C     
18   C        -2.1417    7.7190   13.1073  C     
19   C        -1.3547    7.1304   14.3193  C     
20   C        -0.9932    8.5395   16.2960  C     
21   O        -0.5449    8.1162   14.9996  O     
22   H        -2.3781    3.8977   14.4714  H     
23   H        -3.8369    1.4312   15.6216  H     
24   H        -8.1302    1.3467   18.5796  H     
25   H        -6.8540    1.5853   19.6618  H     
26   H        -2.5541    1.7190   13.7826  H     
27   H        -2.2792    2.6097   12.4020  H     
28   H        -3.8159    2.0246   12.7240  H     
29   H        -2.6617    4.9218   12.2817  H     
30   H        -4.3695    4.4550   12.1824  H     
31   H        -3.9424    7.3554   11.9592  H     
32   H        -4.2111    8.0787   13.5391  H     
33   H        -1.6375    7.4238   12.1845  H     
34   H        -2.0800    8.8122   13.1445  H     
35   H        -2.0097    6.5874   15.0148  H     
36   H        -0.6435    6.3894   13.9285  H     
37   H        -2.0313    8.8792   16.2781  H     
38   H        -0.3632    9.3720   16.6169  H     
39   H        -0.8809    7.7337   17.0217  H     
@<TRIPOS>BOND
     1    1    6 1
     2    1   15 1
     3    1   16 1
     4    2    3 1
     5    2   16 1
     6    2   17 1
     7    3    4 2
     8    3    5 2
     9    3    7 1
    10    6    7 2
    11    6    8 1
    12    7   10 1
    13    8    9 2
    14    9   10 1
    15    9   12 1
    16   11   12 am
    17   12   13 2
    18   12   14 2
    19   17   18 1
    20   18   19 1
    21   19   21 1
    22   20   21 1
    23    1   22 1
    24    8   23 1
    25   11   24 1
    26   11   25 1
    27   15   26 1
    28   15   27 1
    29   15   28 1
    30   16   29 1
    31   16   30 1
    32   17   31 1
    33   17   32 1
    34   18   33 1
    35   18   34 1
    36   19   35 1
    37   19   36 1
    38   20   37 1
    39   20   38 1
    40   20   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4010
  Crash		| -2.6650
  Polar		| 4.8848
  FragIndex	| 1
  FragRMSD	| 1.185