@<TRIPOS>MOLECULE
BindingDB_11423
 61 65 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.7930    3.9028   14.5441  C     
2    C        -2.5536    5.0500   13.8562  C     
3    N        -3.4790    6.0695   13.7840  N     
4    S        -5.1069    5.8371   14.1970  S     
5    O        -5.6501    6.8888   15.2553  O     
6    O        -6.0805    5.7016   12.9495  O     
7    C        -3.9922    3.5550   15.1502  C     
8    C        -5.1310    4.3515   15.0538  C     
9    C        -4.2217    2.3628   15.8692  C     
10   C        -5.5290    2.2113   16.3454  C     
11   S        -6.4350    3.5901   15.8673  S     
12   N        -7.7360    1.0884   17.7704  N     
13   S        -6.1682    0.8634   17.2200  S     
14   O        -6.0977   -0.4766   16.3700  O     
15   O        -5.2677    0.6193   18.5042  O     
16   C        -1.2644    5.1379   13.1263  C     
17   C        -3.1595    7.3813   13.5441  C     
18   C        -2.3317    8.0879   14.4408  C     
19   C        -2.0408    9.4472   14.2248  C     
20   C        -2.5563   10.1546   13.1057  C     
21   C        -3.3669    9.4174   12.2030  C     
22   C        -3.6749    8.0635   12.4227  C     
23   C        -1.9702    4.1914    9.4423  C     
24   C        -2.2298    4.8523   10.8189  C     
25   C        -1.0856    2.9344   11.8927  C     
26   C        -0.8348    2.3368   10.4867  C     
27   N        -1.1906    4.4252   11.8068  N     
28   O        -1.8610    2.7592    9.5667  O     
29   C        -1.6748   12.0220   11.7206  C     
30   C        -0.4420   12.8732   12.1275  C     
31   C        -1.4118   13.3122   14.2966  C     
32   C        -2.6722   12.5091   13.8972  C     
33   N        -2.3153   11.4977   12.9162  N     
34   O        -0.7843   13.8630   13.1204  O     
35   H        -2.0665    3.2258   14.6105  H     
36   H        -3.4992    1.6545   16.0215  H     
37   H        -7.9243    1.0232   18.7193  H     
38   H        -8.4592    1.2098   17.1351  H     
39   H        -0.9907    6.1780   12.9442  H     
40   H        -0.4508    4.7670   13.7573  H     
41   H        -1.9414    7.6134   15.2601  H     
42   H        -1.4120    9.9060   14.8861  H     
43   H        -3.8052    9.8771   11.4030  H     
44   H        -4.2878    7.5771   11.7641  H     
45   H        -2.8012    4.4152    8.7701  H     
46   H        -1.0579    4.5989    8.9967  H     
47   H        -2.1979    5.9370   10.6879  H     
48   H        -3.2297    4.5733   11.1647  H     
49   H        -2.0069    2.5028   12.2932  H     
50   H        -0.2560    2.6503   12.5457  H     
51   H         0.1504    2.6386   10.1190  H     
52   H        -0.8524    1.2459   10.5441  H     
53   H        -0.3012    4.7265   11.4003  H     
54   H        -2.3842   12.6472   11.1714  H     
55   H        -1.3161   11.2457   11.0405  H     
56   H         0.3485   12.2227   12.5133  H     
57   H        -0.0522   13.3904   11.2486  H     
58   H        -1.6982   14.1361   14.9536  H     
59   H        -0.7107   12.6714   14.8389  H     
60   H        -3.1592   12.1183   14.7916  H     
61   H        -3.3894   13.1973   13.4410  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   27 1
    20   17   18 2
    21   17   22 1
    22   18   19 1
    23   19   20 2
    24   20   21 1
    25   20   33 1
    26   21   22 2
    27   23   24 1
    28   23   28 1
    29   24   27 1
    30   25   26 1
    31   25   27 1
    32   26   28 1
    33   29   30 1
    34   29   33 1
    35   30   34 1
    36   31   32 1
    37   31   34 1
    38   32   33 1
    39    1   35 1
    40    9   36 1
    41   12   37 1
    42   12   38 1
    43   16   39 1
    44   16   40 1
    45   18   41 1
    46   19   42 1
    47   21   43 1
    48   22   44 1
    49   23   45 1
    50   23   46 1
    51   24   47 1
    52   24   48 1
    53   25   49 1
    54   25   50 1
    55   26   51 1
    56   26   52 1
    57   27   53 1
    58   29   54 1
    59   29   55 1
    60   30   56 1
    61   30   57 1
    62   31   58 1
    63   31   59 1
    64   32   60 1
    65   32   61 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.7123
  Crash		| -2.2169
  Polar		| 4.7473
  FragIndex	| 1
  FragRMSD	| 0.876