@<TRIPOS>MOLECULE
BindingDB_12128
 55 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.2462   -2.4064    9.3194  C     
2    C        18.6764   -1.1409    9.1444  C     
3    N        19.6543   -0.3246    8.6905  N     
4    C        20.8069   -1.0037    8.5605  C     
5    C        20.5761   -2.3212    8.9420  C     
6    C        22.0772   -0.6026    8.1134  C     
7    C        23.1019   -1.5713    8.0235  C     
8    C        21.5841   -3.2947    8.8673  C     
9    C        17.3547   -0.7609    9.3355  C     
10   C        16.3552   -1.3854   10.0473  C     
11   C        14.0062   -0.8594   10.4878  C     
12   C        15.2374   -0.5823    9.8739  C     
13   C        16.2619   -2.5213   10.8748  C     
14   C        15.0343   -2.8212   11.5004  C     
15   C        13.8909   -1.9899   11.3399  C     
16   N        16.8519    0.3062    8.8157  N     
17   N        15.6219    0.4303    9.0965  N     
18   C        22.8641   -2.9254    8.3837  C     
19   C        23.9188   -3.9578    8.1867  C     
20   C        22.5014   -5.8138    5.9008  C     
21   C        24.7937   -6.6861    6.6545  C     
22   C        25.3331   -5.2316    6.5507  C     
23   C        23.1252   -4.3961    5.8053  C     
24   N        24.2796   -4.1792    6.7448  N     
25   C        23.5837   -6.9061    5.7105  C     
26   C        11.7349   -1.4005   12.3539  C     
27   C        11.2856   -3.3679   13.2240  C     
28   C        10.7958   -2.0809   13.1093  C     
29   N        12.7331   -2.2603   12.0403  N     
30   N        12.4541   -3.4227   12.5660  N     
31   H        18.7831   -3.2670    9.6059  H     
32   H        19.5438    0.6159    8.4865  H     
33   H        22.2464    0.3665    7.8357  H     
34   H        24.0194   -1.2884    7.6706  H     
35   H        21.3707   -4.2612    9.1243  H     
36   H        13.2199   -0.2290   10.3233  H     
37   H        17.0711   -3.1099   11.0631  H     
38   H        14.9961   -3.6373   12.1155  H     
39   H        15.0442    1.1595    8.8120  H     
40   H        24.8023   -3.6169    8.7339  H     
41   H        23.6176   -4.9065    8.6394  H     
42   H        22.0176   -5.9397    6.8731  H     
43   H        21.7348   -5.9234    5.1284  H     
44   H        25.5902   -7.3871    6.3914  H     
45   H        24.4944   -6.8948    7.6849  H     
46   H        26.1489   -5.1000    7.2680  H     
47   H        25.7725   -5.0953    5.5580  H     
48   H        23.4844   -4.2419    4.7832  H     
49   H        22.3397   -3.6544    5.9627  H     
50   H        24.7140   -3.3026    6.4438  H     
51   H        23.1448   -7.8900    5.9031  H     
52   H        23.9303   -6.8907    4.6724  H     
53   H        11.6738   -0.4082   12.1163  H     
54   H        10.8477   -4.1389   13.7286  H     
55   H         9.9328   -1.7085   13.5091  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    2    9 1
     5    3    4 1
     6    4    5 2
     7    4    6 1
     8    5    8 1
     9    6    7 2
    10    7   18 1
    11    8   18 2
    12    9   10 1
    13    9   16 2
    14   10   12 1
    15   10   13 2
    16   11   12 2
    17   11   15 1
    18   12   17 1
    19   13   14 1
    20   14   15 2
    21   15   29 1
    22   16   17 1
    23   18   19 1
    24   19   24 1
    25   20   23 1
    26   20   25 1
    27   21   22 1
    28   21   25 1
    29   22   24 1
    30   23   24 1
    31   26   28 2
    32   26   29 1
    33   27   28 1
    34   27   30 2
    35   29   30 1
    36    1   31 1
    37    3   32 1
    38    6   33 1
    39    7   34 1
    40    8   35 1
    41   11   36 1
    42   13   37 1
    43   14   38 1
    44   17   39 1
    45   19   40 1
    46   19   41 1
    47   20   42 1
    48   20   43 1
    49   21   44 1
    50   21   45 1
    51   22   46 1
    52   22   47 1
    53   23   48 1
    54   23   49 1
    55   24   50 1
    56   25   51 1
    57   25   52 1
    58   26   53 1
    59   27   54 1
    60   28   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0359
  Crash		| -0.6302
  Polar		| 1.8526
  FragIndex	| 1
  FragRMSD	| 0.751