@<TRIPOS>MOLECULE
BindingDB_14793
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         2.0408   48.2373  -11.2679  C     
2    C         1.2160   48.8799  -10.3485  C     
3    N         3.3007   48.3334  -10.8240  N     
4    N         3.3438   48.9775   -9.6995  N     
5    C         1.7162   47.5885  -12.5482  C     
6    C        -0.1891   49.1039  -10.4245  C     
7    O        -0.7106   50.1598   -9.7343  O     
8    O        -1.0396   48.3301  -11.1898  O     
9    C        -2.4434   48.5215  -11.4379  C     
10   C        -3.1989   49.4344  -10.4269  C     
11   C         4.4846   49.2178   -8.9960  C     
12   C         4.7906   48.4488   -7.8515  C     
13   C         5.8760   48.7901   -7.0125  C     
14   C         6.6911   49.8977   -7.3161  C     
15   C         6.3648   50.6971   -8.4330  C     
16   C         5.2720   50.3574   -9.2641  C     
17   C         2.0884   49.3377   -9.3462  C     
18   C         1.7127   50.0400   -8.0961  C     
19   S         8.1026   50.2354   -6.3404  S     
20   O         7.6805   50.8258   -4.9239  O     
21   O         8.9667   48.9194   -6.0979  O     
22   N         9.1159   51.3787   -7.0456  N     
23   H         1.0592   46.7417  -12.3757  H     
24   H         2.6175   47.2320  -13.0434  H     
25   H         1.2079   48.2828  -13.2135  H     
26   H        -2.5853   48.9151  -12.4575  H     
27   H        -2.9071   47.5311  -11.3777  H     
28   H        -3.0554   49.0743   -9.4052  H     
29   H        -4.2530   49.4261  -10.6642  H     
30   H        -2.9433   50.4799  -10.5362  H     
31   H         4.2116   47.6315   -7.6136  H     
32   H         6.0588   48.2151   -6.1854  H     
33   H         6.9246   51.5324   -8.6540  H     
34   H         5.0580   50.9532  -10.0709  H     
35   H         1.2529   51.0058   -8.3101  H     
36   H         2.5738   50.2259   -7.4602  H     
37   H         1.0099   49.4264   -7.5316  H     
38   H         9.6859   51.9431   -6.4909  H     
39   H         9.2632   51.3511   -8.0091  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    5 1
     4    2    6 1
     5    2   17 2
     6    3    4 1
     7    4   11 1
     8    4   17 1
     9    6    7 2
    10    6    8 1
    11    8    9 1
    12    9   10 1
    13   11   12 2
    14   11   16 1
    15   12   13 1
    16   13   14 2
    17   14   15 1
    18   14   19 1
    19   15   16 2
    20   17   18 1
    21   19   20 2
    22   19   21 2
    23   19   22 am
    24    5   23 1
    25    5   24 1
    26    5   25 1
    27    9   26 1
    28    9   27 1
    29   10   28 1
    30   10   29 1
    31   10   30 1
    32   12   31 1
    33   13   32 1
    34   15   33 1
    35   16   34 1
    36   18   35 1
    37   18   36 1
    38   18   37 1
    39   22   38 1
    40   22   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.9372
  Crash		| -0.8102
  Polar		| 2.9861
  FragIndex	| 1
  FragRMSD	| 1.260