@<TRIPOS>MOLECULE
BindingDB_13029
 33 34 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        28.3043   46.1672   16.7232  C     
2    C        27.9516   45.5371   15.5176  C     
3    C        27.8346   44.1359   15.4498  C     
4    C        28.0952   43.3689   16.6104  C     
5    C        28.5426   45.4081   17.8904  C     
6    C        28.4674   43.9907   17.8210  C     
7    C        28.9130   46.1044   19.1515  C     
8    C        28.7414   43.1503   19.0279  C     
9    C        28.7581   45.2105   20.4161  C     
10   N        29.3669   43.8876   20.1509  N     
11   S        27.2963   43.3724   13.9790  S     
12   O        27.6364   41.8221   14.0083  O     
13   O        25.7160   43.5631   13.9452  O     
14   C        29.4139   45.8483   21.6678  C     
15   N        27.9951   43.9956   12.5815  N     
16   F        28.8458   47.0647   21.9774  F     
17   C        27.4935   43.6921   11.2849  C     
18   H        28.3732   47.1896   16.7559  H     
19   H        27.7600   46.1165   14.6963  H     
20   H        28.0064   42.3513   16.5769  H     
21   H        29.9457   46.4335   19.0512  H     
22   H        28.2873   46.9864   19.2711  H     
23   H        27.8045   42.7058   19.3714  H     
24   H        29.4219   42.3401   18.7590  H     
25   H        27.6928   45.0731   20.6317  H     
26   H        29.3003   43.3102   20.9921  H     
27   H        30.3551   44.0339   19.9316  H     
28   H        29.2917   45.1911   22.5289  H     
29   H        30.4850   45.9957   21.4906  H     
30   H        28.7341   44.6222   12.6492  H     
31   H        27.2930   42.6258   11.1799  H     
32   H        28.2404   43.9778   10.5474  H     
33   H        26.5742   44.2418   11.0796  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    2    3 2
     4    3    4 1
     5    3   11 1
     6    4    6 2
     7    5    6 1
     8    5    7 1
     9    6    8 1
    10    7    9 1
    11    8   10 1
    12    9   10 1
    13    9   14 1
    14   11   12 2
    15   11   13 2
    16   11   15 1
    17   14   16 1
    18   15   17 1
    19    1   18 1
    20    2   19 1
    21    4   20 1
    22    7   21 1
    23    7   22 1
    24    8   23 1
    25    8   24 1
    26    9   25 1
    27   10   26 1
    28   10   27 1
    29   14   28 1
    30   14   29 1
    31   15   30 1
    32   17   31 1
    33   17   32 1
    34   17   33 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.8622
  Crash		| -2.2217
  Polar		| 3.5196
  FragIndex	| 1
  FragRMSD	| 1.057