@<TRIPOS>MOLECULE
BindingDB_14771
 41 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         1.7083    0.7142  -12.9760  C     
2    C         1.0187    1.7724  -13.8670  C     
3    C         0.3742    1.0166  -15.0546  C     
4    C         0.6959   -0.4718  -14.8338  C     
5    C         1.9381   -0.4697  -13.9316  C     
6    O         0.8775    0.2625  -11.8793  O     
7    C         1.0342    0.9287  -10.6911  C     
8    C         2.3033    0.9038  -10.0645  C     
9    C         2.5228    1.5708   -8.8426  C     
10   C         1.4322    2.2071   -8.2077  C     
11   C         0.1590    2.1927   -8.7993  C     
12   C        -0.0661    1.5458  -10.0505  C     
13   O        -1.2785    1.4763  -10.7123  O     
14   C        -2.4767    2.0185  -10.1264  C     
15   C         3.7697    1.4832   -8.2546  C     
16   C         3.9961    0.4467   -7.2600  C     
17   N         4.6684    2.3442   -8.6396  N     
18   O         5.8969    2.2512   -8.3326  O     
19   C         6.5216    3.1615   -7.5193  C     
20   O         5.8222    4.1163   -6.8453  O     
21   N         7.8301    3.0262   -7.2811  N     
22   H         2.6791    1.0696  -12.6248  H     
23   H         0.2608    2.3416  -13.3200  H     
24   H         1.7661    2.4738  -14.2492  H     
25   H        -0.7066    1.1652  -15.0897  H     
26   H         0.8010    1.3551  -16.0058  H     
27   H        -0.1370   -0.9602  -14.3140  H     
28   H         0.8951   -0.9933  -15.7746  H     
29   H         2.8348   -0.2884  -14.5364  H     
30   H         2.0557   -1.4115  -13.3960  H     
31   H         3.0658    0.3986  -10.5429  H     
32   H         1.5571    2.6656   -7.2957  H     
33   H        -0.6218    2.6309   -8.3057  H     
34   H        -2.5925    1.6362   -9.1052  H     
35   H        -3.3305    1.7084  -10.7133  H     
36   H        -2.4231    3.1068  -10.1179  H     
37   H         3.3898    0.6750   -6.3780  H     
38   H         5.0427    0.3867   -6.9477  H     
39   H         3.7002   -0.5292   -7.6527  H     
40   H         8.2744    3.6327   -6.6536  H     
41   H         8.3552    2.3394   -7.7424  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    1    6 1
     4    2    3 1
     5    3    4 1
     6    4    5 1
     7    6    7 1
     8    7    8 1
     9    7   12 2
    10    8    9 2
    11    9   10 1
    12    9   15 1
    13   10   11 2
    14   11   12 1
    15   12   13 1
    16   13   14 1
    17   15   16 1
    18   15   17 2
    19   17   18 1
    20   18   19 1
    21   19   20 2
    22   19   21 am
    23    1   22 1
    24    2   23 1
    25    2   24 1
    26    3   25 1
    27    3   26 1
    28    4   27 1
    29    4   28 1
    30    5   29 1
    31    5   30 1
    32    8   31 1
    33   10   32 1
    34   11   33 1
    35   14   34 1
    36   14   35 1
    37   14   36 1
    38   16   37 1
    39   16   38 1
    40   16   39 1
    41   21   40 1
    42   21   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.9069
  Crash		| -0.4226
  Polar		| 2.1590
  FragIndex	| 1
  FragRMSD	| 0.653