@<TRIPOS>MOLECULE
BindingDB_13491
 55 58 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.1911   -2.7424   -4.4049  C     
2    C        16.3513   -3.6419   -3.7103  C     
3    C        16.1273   -3.4911   -2.3350  C     
4    C        16.7381   -2.4483   -1.6015  C     
5    C        17.5335   -1.5209   -2.3120  C     
6    C        17.7603   -1.6674   -3.6898  C     
7    C        16.4964   -2.3407   -0.1325  C     
8    C        17.1645   -1.3801    1.9609  C     
9    C        17.7071   -2.0214    0.7807  C     
10   N        15.9503   -0.9042    1.8545  N     
11   O        13.8643   -1.9064    0.4668  O     
12   O        17.8031   -1.2504    2.9999  O     
13   C        17.3675   -2.9099   -5.8800  C     
14   C        18.4724   -3.9257   -6.3613  C     
15   C        18.9410   -4.8651   -5.3124  C     
16   C        19.0972   -6.6143   -4.0310  C     
17   C        19.9905   -5.6391   -3.5829  C     
18   C        19.7130   -8.0713   -2.2033  C     
19   C        18.9379   -7.8353   -3.3599  C     
20   C        20.7860   -5.8795   -2.4448  C     
21   C        20.6355   -7.0961   -1.7486  C     
22   N        19.8789   -4.5743   -4.3823  N     
23   N        18.4861   -6.1175   -5.1085  N     
24   N        18.0004   -4.6560   -7.5158  N     
25   S        15.2515   -1.1351    0.3440  S     
26   O        15.3067    0.2133   -0.5063  O     
27   C        17.9717   -4.2282   -8.7769  C     
28   O        18.4588   -3.1301   -9.0735  O     
29   C        17.4555   -5.1081   -9.8184  C     
30   C        17.2171   -4.4173  -11.1880  C     
31   C        18.3693   -6.3540   -9.9892  C     
32   H        15.8757   -4.3998   -4.2065  H     
33   H        15.5093   -4.1597   -1.8681  H     
34   H        17.9601   -0.7255   -1.8258  H     
35   H        18.3469   -0.9903   -4.1783  H     
36   H        16.0974   -3.2961    0.2312  H     
37   H        18.2282   -2.9437    1.0619  H     
38   H        18.4241   -1.3462    0.3080  H     
39   H        15.4739   -0.4980    2.5954  H     
40   H        16.4028   -3.2198   -6.2832  H     
41   H        17.5895   -1.9441   -6.3403  H     
42   H        19.3615   -3.3624   -6.6585  H     
43   H        19.5957   -8.9394   -1.6817  H     
44   H        18.2700   -8.5328   -3.6925  H     
45   H        21.4502   -5.1694   -2.1285  H     
46   H        21.1762   -7.2651   -0.9011  H     
47   H        17.8114   -6.5672   -5.6287  H     
48   H        17.6267   -5.5415   -7.3591  H     
49   H        16.4734   -5.4596   -9.4826  H     
50   H        16.5642   -3.5523  -11.0716  H     
51   H        16.7318   -5.1131  -11.8792  H     
52   H        18.1561   -4.0881  -11.6326  H     
53   H        19.3601   -6.0619  -10.3466  H     
54   H        17.9328   -7.0439  -10.7117  H     
55   H        18.4832   -6.8857   -9.0442  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   13 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    7    9 1
    10    7   25 1
    11    8    9 1
    12    8   10 1
    13    8   12 2
    14   10   25 1
    15   11   25 2
    16   14   13 1
    17   14   15 1
    18   14   24 1
    19   15   22 2
    20   15   23 1
    21   16   17 2
    22   16   19 1
    23   16   23 1
    24   17   20 1
    25   17   22 1
    26   18   19 2
    27   18   21 1
    28   20   21 2
    29   24   27 am
    30   25   26 2
    31   27   28 2
    32   27   29 1
    33   29   30 1
    34   29   31 1
    35    2   32 1
    36    3   33 1
    37    5   34 1
    38    6   35 1
    39    7   36 1
    40    9   37 1
    41    9   38 1
    42   10   39 1
    43   13   40 1
    44   13   41 1
    45   14   42 1
    46   18   43 1
    47   19   44 1
    48   20   45 1
    49   21   46 1
    50   23   47 1
    51   24   48 1
    52   29   49 1
    53   30   50 1
    54   30   51 1
    55   30   52 1
    56   31   53 1
    57   31   54 1
    58   31   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.4761
  Crash		| -2.4443
  Polar		| 5.0743
  FragIndex	| 1
  FragRMSD	| 0.797