@<TRIPOS>MOLECULE
BindingDB_68266
 48 49 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.6234  -34.3834   -4.5665  C     
2    C        17.7477  -33.2617   -4.6550  C     
3    C        17.5520  -32.4621   -3.5236  C     
4    C        18.1605  -32.7907   -2.2916  C     
5    C        18.9772  -33.9399   -2.1787  C     
6    C        19.2813  -34.7166   -3.3307  C     
7    C        18.7636  -35.1912   -5.7111  C     
8    O        17.0979  -32.9488   -5.8098  O     
9    O        17.8911  -31.9817   -1.2214  O     
10   O        19.8791  -35.0408   -6.4830  O     
11   O        17.8060  -36.1078   -6.0149  O     
12   C        20.2075  -35.8187   -7.6364  C     
13   C        21.4822  -35.2433   -8.2891  C     
14   C        21.2570  -33.8620   -8.7028  C     
15   C        21.9304  -32.7553   -8.3300  C     
16   C        20.1897  -35.9124   -3.2010  C     
17   C        21.5394  -35.6430   -2.7059  C     
18   C        22.5374  -34.9081   -3.4674  C     
19   O        21.9189  -36.1993   -1.6783  O     
20   C        23.1370  -32.6974   -7.5200  C     
21   C        22.8238  -32.4664   -6.0184  C     
22   Cl       19.5354  -34.3257   -0.6089  Cl    
23   C        22.5868  -33.4073   -3.0500  C     
24   C        23.8096  -32.6290   -3.6049  C     
25   C        24.0592  -32.7799   -5.1293  C     
26   H        16.9551  -31.6297   -3.5830  H     
27   H        16.4421  -32.2605   -5.5717  H     
28   H        16.9857  -31.5921   -1.3589  H     
29   H        20.3765  -36.8504   -7.3355  H     
30   H        19.3820  -35.7994   -8.3473  H     
31   H        22.3087  -35.3543   -7.5793  H     
32   H        21.7286  -35.8349   -9.1813  H     
33   H        20.4890  -33.7133   -9.3170  H     
34   H        21.5621  -31.8783   -8.6243  H     
35   H        19.6904  -36.5973   -2.5113  H     
36   H        20.2983  -36.4645   -4.1398  H     
37   H        23.5290  -35.3420   -3.2971  H     
38   H        22.3282  -35.0082   -4.5392  H     
39   H        23.7291  -33.6088   -7.6626  H     
40   H        23.7560  -31.8629   -7.8765  H     
41   H        22.5083  -31.4273   -5.8638  H     
42   H        21.9835  -33.1056   -5.7424  H     
43   H        21.6685  -32.9018   -3.3668  H     
44   H        22.6296  -33.3288   -1.9589  H     
45   H        23.6845  -31.5655   -3.3776  H     
46   H        24.7065  -32.9749   -3.0895  H     
47   H        24.3904  -33.8023   -5.3309  H     
48   H        24.8735  -32.1103   -5.4184  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    2    8 1
     6    3    4 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    5   22 1
    11    6   16 1
    12    7   10 1
    13    7   11 2
    14   10   12 1
    15   12   13 1
    16   13   14 1
    17   14   15 2
    18   15   20 1
    19   16   17 1
    20   17   18 1
    21   17   19 2
    22   18   23 1
    23   20   21 1
    24   21   25 1
    25   23   24 1
    26   24   25 1
    27    3   26 1
    28    8   27 1
    29    9   28 1
    30   12   29 1
    31   12   30 1
    32   13   31 1
    33   13   32 1
    34   14   33 1
    35   15   34 1
    36   16   35 1
    37   16   36 1
    38   18   37 1
    39   18   38 1
    40   20   39 1
    41   20   40 1
    42   21   41 1
    43   21   42 1
    44   23   43 1
    45   23   44 1
    46   24   45 1
    47   24   46 1
    48   25   47 1
    49   25   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.8766
  Crash		| -3.9847
  Polar		| 1.3373
  FragIndex	| 1
  FragRMSD	| 1.223