@<TRIPOS>MOLECULE
BindingDB_13426
 58 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.2597    4.9743   14.9908  C     
2    C        -3.4228    6.2002   14.5343  C     
3    C        -3.7447    3.8087   12.7348  C     
4    C        -5.2239    2.6699   14.2869  C     
5    C        -3.9009    1.8606   14.2594  C     
6    C        -2.9677    2.5786   13.2660  C     
7    C        -4.8409    4.1089   13.8102  C     
8    C        -6.0864    4.8269   13.1915  C     
9    C        -2.8709    5.0506   12.3528  C     
10   C        -2.2450    5.7801   13.5944  C     
11   C        -1.1354    6.0438   10.7962  C     
12   C        -1.7675    4.7289   11.3120  C     
13   C        -0.8355    7.0379   11.8687  C     
14   C        -1.3148    6.8948   13.2046  C     
15   C        -0.8169    7.7811   14.1892  C     
16   C        -0.0522    8.9112   13.8392  C     
17   C         0.3144    9.1193   12.4998  C     
18   C        -0.0304    8.1473   11.5359  C     
19   O         0.3656    9.7913   14.8018  O     
20   C        -0.6826   10.5547   15.4205  C     
21   O        -5.8920    2.6870   15.5593  O     
22   O        -5.9248   -0.1125   15.7861  O     
23   O        -4.8882    1.3905   17.7704  O     
24   S        -6.0970    1.3608   16.5935  S     
25   N        -7.5655    1.3996   17.4030  N     
26   O         1.0300   10.2466   12.2154  O     
27   N         0.1030   10.8186    9.6454  N     
28   S         1.3802   10.9782   10.7260  S     
29   O         1.7795   12.6079   10.9357  O     
30   O         2.7247   10.2398   10.0149  O     
31   H        -3.6161    4.3562   15.6224  H     
32   H        -5.0754    5.3267   15.6302  H     
33   H        -4.0618    6.9273   14.0288  H     
34   H        -3.0463    6.6801   15.4380  H     
35   H        -4.2507    3.4799   11.8182  H     
36   H        -5.9053    2.2051   13.5653  H     
37   H        -3.4403    1.8402   15.2523  H     
38   H        -4.0796    0.8276   13.9442  H     
39   H        -2.6808    1.9184   12.4403  H     
40   H        -2.0550    2.8827   13.7821  H     
41   H        -6.8770    4.9396   13.9370  H     
42   H        -6.4936    4.2588   12.3522  H     
43   H        -5.8249    5.8194   12.8220  H     
44   H        -3.5523    5.7565   11.8631  H     
45   H        -1.6198    5.0782   14.1514  H     
46   H        -0.2146    5.7841   10.2656  H     
47   H        -1.8109    6.5097   10.0729  H     
48   H        -0.9880    4.1137   11.7694  H     
49   H        -2.1835    4.1745   10.4675  H     
50   H        -1.0087    7.6209   15.1797  H     
51   H         0.3251    8.2371   10.5837  H     
52   H        -1.2573   11.1200   14.6815  H     
53   H        -0.2174   11.2589   16.1142  H     
54   H        -1.3564    9.9120   15.9924  H     
55   H        -7.7541    0.7503   18.0967  H     
56   H        -8.2247    2.0723   17.1782  H     
57   H         0.1229   11.2826    8.7945  H     
58   H        -0.6813   10.3101    9.8984  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    2   10 1
     4    3    6 1
     5    3    7 1
     6    3    9 1
     7    4    5 1
     8    4    7 1
     9    4   21 1
    10    5    6 1
    11    7    8 1
    12    9   10 1
    13    9   12 1
    14   10   14 1
    15   11   12 1
    16   11   13 1
    17   13   14 2
    18   13   18 1
    19   14   15 1
    20   15   16 2
    21   16   17 1
    22   16   19 1
    23   17   18 2
    24   17   26 1
    25   19   20 1
    26   21   24 1
    27   22   24 2
    28   23   24 2
    29   24   25 am
    30   26   28 1
    31   27   28 am
    32   28   29 2
    33   28   30 2
    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    5   37 1
    41    5   38 1
    42    6   39 1
    43    6   40 1
    44    8   41 1
    45    8   42 1
    46    8   43 1
    47    9   44 1
    48   10   45 1
    49   11   46 1
    50   11   47 1
    51   12   48 1
    52   12   49 1
    53   15   50 1
    54   18   51 1
    55   20   52 1
    56   20   53 1
    57   20   54 1
    58   25   55 1
    59   25   56 1
    60   27   57 1
    61   27   58 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5412
  Crash		| -1.3317
  Polar		| 2.8398
  FragIndex	| 1
  FragRMSD	| 1.072