@<TRIPOS>MOLECULE
BindingDB_13428
 60 63 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.3449    5.0240   14.8489  C     
2    C        -3.5755    6.2587   14.3106  C     
3    C        -3.8726    3.7884   12.6051  C     
4    C        -3.8706    1.8708   14.2049  C     
5    C        -3.0464    2.5676   13.0941  C     
6    C        -4.9258    4.0745   13.7295  C     
7    C        -6.2481    4.6824   13.1489  C     
8    C        -3.0509    5.0561   12.1683  C     
9    C        -2.3995    5.8189   13.3760  C     
10   C        -1.4137    6.1364   10.5548  C     
11   C        -1.9815    4.7907   11.0768  C     
12   C        -1.0893    7.1266   11.6151  C     
13   C        -1.4910    6.9468   12.9694  C     
14   C        -0.9389    7.8095   13.9505  C     
15   C        -0.1752    8.9491   13.6027  C     
16   C         0.1113    9.1873   12.2300  C     
17   C        -0.3395    8.2714   11.2624  C     
18   C        -0.3825    9.9556   15.9873  C     
19   O         0.8197   10.3186   11.9034  O     
20   N         2.0107   10.1114    9.3762  N     
21   S         1.0947   11.0821   10.4115  S     
22   O        -0.3727   11.3696    9.6152  O     
23   O         1.8726   12.5662   10.6392  O     
24   C         0.3430    9.9110   14.6303  C     
25   C        -5.2119    2.6420   14.2900  C     
26   O        -5.7547    2.7101   15.6170  O     
27   O        -6.5035    0.0253   16.1126  O     
28   O        -4.2546    1.0518   17.1422  O     
29   S        -5.8409    1.4485   16.7422  S     
30   N        -6.6445    1.9466   18.1305  N     
31   H        -3.6576    4.4599   15.4882  H     
32   H        -5.1576    5.3702   15.4990  H     
33   H        -4.2583    6.9222   13.7761  H     
34   H        -3.2156    6.8073   15.1847  H     
35   H        -4.4139    3.4502   11.7111  H     
36   H        -4.0375    0.8182   13.9479  H     
37   H        -3.3420    1.9110   15.1666  H     
38   H        -2.8498    1.8798   12.2577  H     
39   H        -2.0864    2.8857   13.4992  H     
40   H        -6.9851    4.8382   13.9452  H     
41   H        -6.6913    4.0104   12.4067  H     
42   H        -6.0572    5.6423   12.6631  H     
43   H        -3.7758    5.7368   11.7038  H     
44   H        -1.7716    5.1279   13.9465  H     
45   H        -0.5068    5.9180    9.9824  H     
46   H        -2.1359    6.5957    9.8726  H     
47   H        -1.1683    4.1894   11.4889  H     
48   H        -2.4195    4.2453   10.2402  H     
49   H        -1.0923    7.6452   14.9468  H     
50   H        -0.0967    8.4219   10.2812  H     
51   H        -1.4440   10.1542   15.8600  H     
52   H         0.0458   10.7481   16.6182  H     
53   H        -0.2691    9.0146   16.5153  H     
54   H         2.1921   10.4088    8.4669  H     
55   H         2.3979    9.2811    9.7047  H     
56   H         1.3976    9.6872   14.8148  H     
57   H         0.2880   10.9202   14.2147  H     
58   H        -5.9360    2.1108   13.6542  H     
59   H        -7.0334    1.2941   18.7323  H     
60   H        -6.6099    2.8778   18.3971  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 1
     3    2    9 1
     4    3    5 1
     5    3    6 1
     6    3    8 1
     7    4    5 1
     8    4   25 1
     9    6    7 1
    10    6   25 1
    11    8    9 1
    12    8   11 1
    13    9   13 1
    14   10   11 1
    15   10   12 1
    16   12   13 2
    17   12   17 1
    18   13   14 1
    19   14   15 2
    20   15   16 1
    21   15   24 1
    22   16   17 2
    23   16   19 1
    24   18   24 1
    25   19   21 1
    26   20   21 am
    27   21   22 2
    28   21   23 2
    29   25   26 1
    30   26   29 1
    31   27   29 2
    32   28   29 2
    33   29   30 am
    34    1   31 1
    35    1   32 1
    36    2   33 1
    37    2   34 1
    38    3   35 1
    39    4   36 1
    40    4   37 1
    41    5   38 1
    42    5   39 1
    43    7   40 1
    44    7   41 1
    45    7   42 1
    46    8   43 1
    47    9   44 1
    48   10   45 1
    49   10   46 1
    50   11   47 1
    51   11   48 1
    52   14   49 1
    53   17   50 1
    54   18   51 1
    55   18   52 1
    56   18   53 1
    57   20   54 1
    58   20   55 1
    59   24   56 1
    60   24   57 1
    61   25   58 1
    62   30   59 1
    63   30   60 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.4721
  Crash		| -1.3963
  Polar		| 2.8240
  FragIndex	| 1
  FragRMSD	| 1.280