@<TRIPOS>MOLECULE
BindingDB_11392
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.2828    4.0716   14.3045  C     
2    N        -4.0132    6.4955   14.3358  N     
3    S        -5.5565    6.1846   14.9743  S     
4    O        -6.7257    6.4356   13.9266  O     
5    O        -5.7801    6.9366   16.3587  O     
6    C        -4.4634    3.6472   15.1091  C     
7    C        -5.5346    4.5098   15.3978  C     
8    C        -4.6008    2.3824   15.7259  C     
9    C        -5.7819    2.2191   16.4613  C     
10   S        -6.6773    3.6860   16.3738  S     
11   N        -7.9301    0.8237   17.6011  N     
12   S        -6.2739    0.8168   17.3457  S     
13   O        -5.9886   -0.4427   16.4195  O     
14   O        -5.4658    0.6918   18.7181  O     
15   N        -2.9518    3.0280   13.3098  N     
16   C        -3.4593    5.4221   13.5322  C     
17   C        -3.6702    7.8906   14.1185  C     
18   C        -2.2205    8.2324   13.6843  C     
19   C        -1.1108    7.7701   14.6856  C     
20   C        -1.4031    9.6078   16.2957  C     
21   O        -0.5173    8.8261   15.4876  O     
22   H        -2.4305    4.1742   14.9930  H     
23   H        -3.8849    1.6494   15.6565  H     
24   H        -8.4082   -0.0165   17.5817  H     
25   H        -8.4094    1.6487   17.4362  H     
26   H        -2.8953    2.1197   13.7796  H     
27   H        -2.0570    3.2486   12.8646  H     
28   H        -3.6913    2.9880   12.5976  H     
29   H        -2.4773    5.6691   13.1292  H     
30   H        -4.1260    5.2678   12.6632  H     
31   H        -4.3482    8.2926   13.3528  H     
32   H        -3.8810    8.4299   15.0451  H     
33   H        -2.0139    7.8106   12.6959  H     
34   H        -2.1318    9.3224   13.5542  H     
35   H        -1.4847    6.9666   15.3450  H     
36   H        -0.2941    7.3464   14.1099  H     
37   H        -2.0307   10.2609   15.6751  H     
38   H        -0.7960   10.2679   16.9175  H     
39   H        -2.0349    8.9685   16.9342  H     
@<TRIPOS>BOND
     1    1    6 1
     2    1   15 1
     3    1   16 1
     4    2    3 1
     5    2   16 1
     6    2   17 1
     7    3    4 2
     8    3    5 2
     9    3    7 1
    10    6    7 2
    11    6    8 1
    12    7   10 1
    13    8    9 2
    14    9   10 1
    15    9   12 1
    16   11   12 am
    17   12   13 2
    18   12   14 2
    19   17   18 1
    20   18   19 1
    21   19   21 1
    22   20   21 1
    23    1   22 1
    24    8   23 1
    25   11   24 1
    26   11   25 1
    27   15   26 1
    28   15   27 1
    29   15   28 1
    30   16   29 1
    31   16   30 1
    32   17   31 1
    33   17   32 1
    34   18   33 1
    35   18   34 1
    36   19   35 1
    37   19   36 1
    38   20   37 1
    39   20   38 1
    40   20   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.6339
  Crash		| -2.8651
  Polar		| 1.7013
  FragIndex	| 1
  FragRMSD	| 0.992