@<TRIPOS>MOLECULE
BindingDB_11451
 44 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        20.8734   26.8009   30.1301  C     
2    C        21.9575   27.6965   30.2221  C     
3    C        22.7549   27.9900   29.0953  C     
4    C        22.3721   27.4350   27.8497  C     
5    C        21.2811   26.5560   27.7514  C     
6    C        20.5374   26.2124   28.8953  C     
7    N        23.8399   28.7939   29.2807  N     
8    C        24.8897   28.9915   28.4646  C     
9    C        25.4933   27.9757   27.7979  C     
10   C        26.5454   28.2090   26.8845  C     
11   C        26.3951   30.5040   27.4605  C     
12   C        25.7885   32.3244   28.3648  C     
13   N        26.9539   29.5081   26.7286  N     
14   N        25.4003   30.2336   28.3321  N     
15   N        25.0248   31.3489   28.8861  N     
16   N        26.6493   31.8167   27.4691  N     
17   N        19.7780   23.5040   28.3840  N     
18   S        19.2458   25.0537   28.7578  S     
19   O        18.2060   25.0162   29.9590  O     
20   O        18.4100   25.5121   27.4869  O     
21   N        27.1252   27.1945   26.1481  N     
22   C        27.5320   27.4307   24.7624  C     
23   C        28.6967   26.5692   24.2086  C     
24   C        27.2146   25.8359   26.6790  C     
25   C        26.0664   24.8905   26.2508  C     
26   H        20.3430   26.5716   30.9732  H     
27   H        22.1932   28.0948   31.1356  H     
28   H        22.8787   27.6702   26.9954  H     
29   H        21.0423   26.1610   26.8387  H     
30   H        23.8616   29.2845   30.1199  H     
31   H        25.1246   27.0603   27.8873  H     
32   H        25.7110   33.3122   28.6037  H     
33   H        19.4806   23.0741   27.5672  H     
34   H        20.3884   23.0431   28.9829  H     
35   H        26.6636   27.2491   24.1242  H     
36   H        27.8059   28.4755   24.5890  H     
37   H        29.5156   26.5158   24.9270  H     
38   H        29.0755   27.0060   23.2813  H     
39   H        28.3572   25.5545   23.9872  H     
40   H        28.1612   25.3783   26.3874  H     
41   H        27.2555   25.8503   27.7745  H     
42   H        25.2194   25.0123   26.9255  H     
43   H        26.3920   23.8495   26.3050  H     
44   H        25.7406   25.0958   25.2291  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    6   18 1
     9    7    8 1
    10    8    9 2
    11    8   14 1
    12    9   10 1
    13   10   13 2
    14   10   21 1
    15   11   13 1
    16   11   14 1
    17   11   16 2
    18   12   15 2
    19   12   16 1
    20   14   15 1
    21   17   18 am
    22   18   19 2
    23   18   20 2
    24   21   22 1
    25   21   24 1
    26   22   23 1
    27   24   25 1
    28    1   26 1
    29    2   27 1
    30    4   28 1
    31    5   29 1
    32    7   30 1
    33    9   31 1
    34   12   32 1
    35   17   33 1
    36   17   34 1
    37   22   35 1
    38   22   36 1
    39   23   37 1
    40   23   38 1
    41   23   39 1
    42   24   40 1
    43   24   41 1
    44   25   42 1
    45   25   43 1
    46   25   44 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0480
  Crash		| -1.3284
  Polar		| 3.9592
  FragIndex	| 1
  FragRMSD	| 0.278