@<TRIPOS>MOLECULE
BindingDB_13443
 51 53 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -10.4054   45.0911   50.7390  C     
2    C        -9.6271   45.9962   50.0025  C     
3    C       -10.2474   47.0126   49.2509  C     
4    C       -11.6555   47.1159   49.2636  C     
5    N        -9.4692   47.9106   48.6036  N     
6    O        -7.5366   46.8899   47.0060  O     
7    S        -9.0327   47.6676   47.0006  S     
8    O       -10.1536   46.7350   46.1225  O     
9    O        -8.7963   49.1359   46.2194  O     
10   C       -12.4513   46.2219   50.0225  C     
11   C       -11.8131   45.2055   50.7732  C     
12   C       -13.9394   46.3584   50.0226  C     
13   C       -12.6394   44.2223   51.5004  C     
14   C       -14.0322   44.7686   51.9535  C     
15   N       -14.7414   45.5369   50.9317  N     
16   C       -13.9443   45.5473   53.1897  C     
17   O       -14.4336   45.0864   54.2165  O     
18   N       -13.3597   46.7420   53.2104  N     
19   C       -13.2245   47.5838   54.3466  C     
20   C       -16.1059   45.5778   50.9110  C     
21   O       -16.7393   44.8507   51.6793  O     
22   C       -16.9763   46.4973   50.1506  C     
23   C       -17.6579   45.8960   48.8705  C     
24   C       -18.7230   46.7014   48.1804  C     
25   C       -19.1533   47.9787   48.6342  C     
26   C       -20.2577   48.6284   48.0525  C     
27   C       -20.9412   48.0376   46.9784  C     
28   C       -20.5189   46.7869   46.4890  C     
29   C       -19.4277   46.1176   47.0920  C     
30   H        -9.9305   44.3360   51.2470  H     
31   H        -8.6039   45.8977   49.9900  H     
32   H       -12.1071   47.8677   48.7439  H     
33   H        -8.8045   48.3885   49.1390  H     
34   H       -14.1599   47.4027   50.2512  H     
35   H       -14.2473   46.1529   48.9971  H     
36   H       -12.7911   43.3788   50.8237  H     
37   H       -12.0977   43.8359   52.3674  H     
38   H       -14.5989   43.8496   52.1615  H     
39   H       -13.0076   47.0772   52.3739  H     
40   H       -14.2017   47.8232   54.7701  H     
41   H       -12.7402   48.5124   54.0427  H     
42   H       -12.6091   47.1008   55.1070  H     
43   H       -17.7917   46.8459   50.8242  H     
44   H       -16.4383   47.3914   49.8159  H     
45   H       -16.8703   45.6660   48.1490  H     
46   H       -18.1350   44.9508   49.1452  H     
47   H       -18.6495   48.4434   49.4021  H     
48   H       -20.5744   49.5278   48.4285  H     
49   H       -21.7510   48.5111   46.5579  H     
50   H       -21.0178   46.3587   45.7029  H     
51   H       -19.1605   45.2025   46.7216  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   11 2
     3    2    3 2
     4    3    4 1
     5    3    5 1
     6    4   10 2
     7    5    7 1
     8    6    7 1
     9    7    8 2
    10    7    9 2
    11   10   11 1
    12   10   12 1
    13   11   13 1
    14   12   15 1
    15   13   14 1
    16   14   15 1
    17   14   16 1
    18   15   20 am
    19   16   17 2
    20   16   18 am
    21   18   19 1
    22   20   21 2
    23   20   22 1
    24   22   23 1
    25   23   24 1
    26   24   25 2
    27   24   29 1
    28   25   26 1
    29   26   27 2
    30   27   28 1
    31   28   29 2
    32    1   30 1
    33    2   31 1
    34    4   32 1
    35    5   33 1
    36   12   34 1
    37   12   35 1
    38   13   36 1
    39   13   37 1
    40   14   38 1
    41   18   39 1
    42   19   40 1
    43   19   41 1
    44   19   42 1
    45   22   43 1
    46   22   44 1
    47   23   45 1
    48   23   46 1
    49   25   47 1
    50   26   48 1
    51   27   49 1
    52   28   50 1
    53   29   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.8717
  Crash		| -2.3023
  Polar		| 5.8869
  FragIndex	| 1
  FragRMSD	| 1.141