@<TRIPOS>MOLECULE
BindingDB_10885
 45 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.2287    3.8757   14.3174  C     
2    C        -2.7222    5.3451   14.2438  C     
3    S        -5.1100    6.3366   15.0132  S     
4    O        -4.9777    7.2074   16.3335  O     
5    O        -6.4114    6.7092   14.1828  O     
6    N        -3.7297    6.3584   14.0334  N     
7    C        -3.4495    7.5343   13.2581  C     
8    C        -2.4765    8.5615   13.9046  C     
9    C        -1.1319    7.9975   14.4425  C     
10   O        -0.0567    8.9584   14.5617  O     
11   C        -0.1052    9.9151   15.6473  C     
12   N        -3.4093    3.2429   12.9843  N     
13   C        -4.4978    3.7100   12.0879  C     
14   C        -4.4907    2.9249   10.7547  C     
15   C        -4.4322    3.6735   15.1617  C     
16   C        -4.8100    2.4117   15.6576  C     
17   C        -5.3348    4.6901   15.4776  C     
18   S        -6.6461    4.0061   16.3448  S     
19   C        -6.0257    2.4054   16.3408  C     
20   S        -6.7922    1.0448   17.0832  S     
21   O        -8.3769    1.0761   16.9695  O     
22   O        -6.2963   -0.2559   16.3190  O     
23   N        -6.2944    0.8054   18.6629  N     
24   H        -2.4192    3.3146   14.7883  H     
25   H        -2.2272    5.5797   15.1907  H     
26   H        -1.9479    5.3825   13.4619  H     
27   H        -3.0407    7.2538   12.2804  H     
28   H        -4.3859    8.0601   13.0460  H     
29   H        -2.2549    9.3088   13.1383  H     
30   H        -3.0034    9.0717   14.7146  H     
31   H        -1.3053    7.5180   15.4063  H     
32   H        -0.7668    7.2233   13.7647  H     
33   H        -0.9384   10.6178   15.5153  H     
34   H         0.8193   10.4892   15.6568  H     
35   H        -0.1973    9.4173   16.6135  H     
36   H        -2.5301    3.3470   12.4716  H     
37   H        -3.5441    2.2417   13.1484  H     
38   H        -5.4905    3.5913   12.5429  H     
39   H        -4.3385    4.7764   11.8642  H     
40   H        -3.5026    2.9822   10.2699  H     
41   H        -5.2293    3.3480   10.0694  H     
42   H        -4.7401    1.8671   10.9399  H     
43   H        -4.2484    1.5717   15.5170  H     
44   H        -5.9433   -0.0569   18.9287  H     
45   H        -6.3642    1.5201   19.3099  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   12 1
     3    1   15 1
     4    2    6 1
     5    3    4 2
     6    3    5 2
     7    3    6 1
     8    3   17 1
     9    6    7 1
    10    7    8 1
    11    8    9 1
    12    9   10 1
    13   10   11 1
    14   12   13 1
    15   13   14 1
    16   15   16 1
    17   15   17 2
    18   16   19 2
    19   17   18 1
    20   18   19 1
    21   19   20 1
    22   20   21 2
    23   20   22 2
    24   20   23 am
    25    1   24 1
    26    2   25 1
    27    2   26 1
    28    7   27 1
    29    7   28 1
    30    8   29 1
    31    8   30 1
    32    9   31 1
    33    9   32 1
    34   11   33 1
    35   11   34 1
    36   11   35 1
    37   12   36 1
    38   12   37 1
    39   13   38 1
    40   13   39 1
    41   14   40 1
    42   14   41 1
    43   14   42 1
    44   16   43 1
    45   23   44 1
    46   23   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.8094
  Crash		| -2.2632
  Polar		| 1.5265
  FragIndex	| 1
  FragRMSD	| 1.132