@<TRIPOS>MOLECULE
BindingDB_11398
 43 44 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.3607    4.0590   14.6455  C     
2    C        -3.4240    5.2571   14.0197  C     
3    N        -4.6273    5.8596   13.6911  N     
4    C        -4.7891    6.7152   12.5365  C     
5    S        -6.0484    5.4863   14.5342  S     
6    O        -6.4364    6.5022   15.6951  O     
7    O        -7.2626    5.1632   13.5565  O     
8    C        -4.4423    3.4030   15.2181  C     
9    C        -5.7132    3.9711   15.2521  C     
10   C        -4.3859    2.1555   15.8801  C     
11   C        -5.5942    1.7603   16.4715  C     
12   S        -6.7702    2.9662   16.1482  S     
13   N        -7.5331    0.2699   17.8255  N     
14   S        -5.9344    0.3180   17.3518  S     
15   O        -5.7905   -0.9005   16.3465  O     
16   O        -4.9744    0.0486   18.5870  O     
17   C        -2.1531    5.9888   13.7776  C     
18   C        -0.7371    8.0067   14.1479  C     
19   C        -2.8297    7.7215   15.5613  C     
20   N        -1.7408    7.0583   14.7693  N     
21   C        -0.4430    9.3801   14.8300  C     
22   O        -1.4913   10.3618   14.6591  O     
23   C        -1.8185   10.7353   13.3072  C     
24   H        -2.4752    3.6335   14.7851  H     
25   H        -4.2040    7.6268   12.6452  H     
26   H        -5.8181    7.0280   12.3687  H     
27   H        -4.4518    6.1861   11.6447  H     
28   H        -3.5287    1.5990   15.9602  H     
29   H        -8.1705   -0.2645   17.3214  H     
30   H        -7.8608    0.9206   18.4684  H     
31   H        -1.3194    5.2801   13.7296  H     
32   H        -2.1887    6.3897   12.7644  H     
33   H         0.2191    7.4729   14.0998  H     
34   H        -1.0085    8.2252   13.1149  H     
35   H        -3.4447    8.3481   14.9156  H     
36   H        -2.4091    8.3284   16.3544  H     
37   H        -3.4608    6.9791   16.0561  H     
38   H        -1.1992    6.5599   15.4892  H     
39   H        -0.3319    9.2155   15.9053  H     
40   H         0.5090    9.7835   14.4733  H     
41   H        -0.9521   11.1808   12.8133  H     
42   H        -2.6140   11.4794   13.3473  H     
43   H        -2.1815    9.8952   12.7165  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    8 1
     3    2    3 1
     4    2   17 1
     5    3    4 1
     6    3    5 1
     7    5    6 2
     8    5    7 2
     9    5    9 1
    10    8    9 2
    11    8   10 1
    12    9   12 1
    13   10   11 2
    14   11   12 1
    15   11   14 1
    16   13   14 am
    17   14   15 2
    18   14   16 2
    19   17   20 1
    20   18   20 1
    21   18   21 1
    22   19   20 1
    23   21   22 1
    24   22   23 1
    25    1   24 1
    26    4   25 1
    27    4   26 1
    28    4   27 1
    29   10   28 1
    30   13   29 1
    31   13   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   19   37 1
    39   20   38 1
    40   21   39 1
    41   21   40 1
    42   23   41 1
    43   23   42 1
    44   23   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.3943
  Crash		| -3.5881
  Polar		| 1.6507
  FragIndex	| 1
  FragRMSD	| 1.111