@<TRIPOS>MOLECULE
BindingDB_13056
 45 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.7695    3.3731   13.3673  C     
2    C        -2.9616    4.7386   13.4853  C     
3    S        -5.2471    5.8815   14.4052  S     
4    O        -5.1200    6.7831   15.7229  O     
5    O        -6.5066    6.2965   13.5192  O     
6    N        -3.7681    5.9396   13.5799  N     
7    C        -3.4139    7.1836   12.9450  C     
8    C        -1.9498    7.6583   12.9569  C     
9    C        -1.1203    7.2315   14.1961  C     
10   O        -1.9293    7.1753   15.3911  O     
11   C        -1.9914    8.4119   16.1718  C     
12   N        -2.9270    2.1700   13.1341  N     
13   C        -1.9367    2.2067   12.0472  C     
14   C        -1.8076    0.8211   11.3507  C     
15   C        -4.7042    3.1908   14.5160  C     
16   C        -5.4886    4.2655   14.9497  C     
17   C        -4.9767    2.0102   15.2442  C     
18   C        -5.9733    2.1252   16.2182  C     
19   S        -6.5377    3.7395   16.2019  S     
20   N        -5.6884   -0.5054   17.2148  N     
21   S        -6.5497    0.9250   17.3290  S     
22   O        -6.3473    1.5218   18.7845  O     
23   O        -8.0922    0.6810   17.0483  O     
24   H        -4.4109    3.4613   12.4784  H     
25   H        -2.3523    4.6857   14.3958  H     
26   H        -2.2947    4.8070   12.6298  H     
27   H        -3.7499    7.1053   11.8815  H     
28   H        -4.0136    7.9872   13.3722  H     
29   H        -1.4530    7.2757   12.0628  H     
30   H        -1.9356    8.7606   12.8784  H     
31   H        -0.7579    6.2240   14.0103  H     
32   H        -0.2421    7.9038   14.3036  H     
33   H        -1.0185    8.7221   16.5835  H     
34   H        -2.6964    8.2309   17.0087  H     
35   H        -2.4123    9.2204   15.5679  H     
36   H        -2.4114    1.9577   14.0083  H     
37   H        -3.5509    1.3887   12.9604  H     
38   H        -2.2325    2.9435   11.2783  H     
39   H        -0.9639    2.4986   12.4414  H     
40   H        -1.5870    0.0688   12.0995  H     
41   H        -0.9926    0.8479   10.6218  H     
42   H        -2.7259    0.5651   10.8354  H     
43   H        -4.4982    1.1144   15.0533  H     
44   H        -5.8196   -1.1993   17.8816  H     
45   H        -5.0462   -0.6356   16.4988  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   16 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 2
    17   15   17 1
    18   16   19 1
    19   17   18 2
    20   18   19 1
    21   18   21 1
    22   20   21 am
    23   21   22 2
    24   21   23 2
    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   17   43 1
    45   20   44 1
    46   20   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0138
  Crash		| -1.9064
  Polar		| 1.2294
  FragIndex	| 1
  FragRMSD	| 0.965