@<TRIPOS>MOLECULE
BindingDB_16499
 47 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.6907   18.9482   -8.2129  C     
2    C         7.4374   20.4093   -7.7743  C     
3    O         8.9618   18.4652   -7.7509  O     
4    C        10.1962   18.8481   -8.1849  C     
5    O        10.3530   19.7676   -9.1653  O     
6    C        11.3650   18.3035   -7.5046  C     
7    C        12.7147   18.2246   -8.2052  C     
8    C        13.9376   18.0818   -7.4671  C     
9    O        14.9407   18.5788   -7.9591  O     
10   N        13.9795   17.5206   -6.2651  N     
11   C        15.1249   17.2928   -5.4239  C     
12   C        15.0645   15.9033   -4.9799  C     
13   O        13.9979   15.4537   -4.5683  O     
14   C        15.1310   18.3545   -4.2591  C     
15   C        15.8612   17.8520   -2.9637  C     
16   C        15.7527   19.7127   -4.7315  C     
17   C        15.0774   21.0082   -4.2055  C     
18   O        11.8196   17.1013   -8.1495  O     
19   N        16.1745   15.1581   -4.9448  N     
20   C        16.2840   13.8087   -4.4695  C     
21   C        17.7136   13.2612   -4.7584  C     
22   C        15.9700   13.7039   -3.0219  C     
23   O        14.8988   12.9829   -2.6026  O     
24   O        16.6613   14.4401   -2.1106  O     
25   H         6.9130   18.3116   -7.7823  H     
26   H         7.6371   18.8629   -9.3056  H     
27   H         7.6103   20.5085   -6.7009  H     
28   H         6.4075   20.6885   -7.9992  H     
29   H         8.1033   21.0833   -8.3049  H     
30   H        11.3357   18.2215   -6.4196  H     
31   H        12.7581   18.6833   -9.2023  H     
32   H        13.1307   17.2128   -5.9101  H     
33   H        16.0441   17.4309   -5.9918  H     
34   H        14.0865   18.5450   -3.9600  H     
35   H        15.4026   16.9490   -2.5734  H     
36   H        15.8126   18.5888   -2.1588  H     
37   H        16.9173   17.6349   -3.1715  H     
38   H        16.8164   19.7489   -4.4559  H     
39   H        15.7012   19.7836   -5.8224  H     
40   H        14.0218   21.0258   -4.5026  H     
41   H        15.5633   21.8906   -4.6304  H     
42   H        15.1411   21.0776   -3.1166  H     
43   H        16.9933   15.5773   -5.2558  H     
44   H        15.5827   13.1869   -5.0342  H     
45   H        17.9320   13.3079   -5.8347  H     
46   H        17.7942   12.2117   -4.4407  H     
47   H        18.4625   13.8594   -4.2261  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    3    4 1
     4    4    5 2
     5    6    4 1
     6    6    7 1
     7    6   18 1
     8    7    8 1
     9    7   18 1
    10    8    9 2
    11    8   10 am
    12   10   11 1
    13   11   12 1
    14   11   14 1
    15   12   13 2
    16   12   19 am
    17   14   15 1
    18   14   16 1
    19   16   17 1
    20   19   20 1
    21   20   21 1
    22   20   22 1
    23   22   23 2
    24   22   24 1
    25    1   25 1
    26    1   26 1
    27    2   27 1
    28    2   28 1
    29    2   29 1
    30    6   30 1
    31    7   31 1
    32   10   32 1
    33   11   33 1
    34   14   34 1
    35   15   35 1
    36   15   36 1
    37   15   37 1
    38   16   38 1
    39   16   39 1
    40   17   40 1
    41   17   41 1
    42   17   42 1
    43   19   43 1
    44   20   44 1
    45   21   45 1
    46   21   46 1
    47   21   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.5900
  Crash		| -1.5291
  Polar		| 2.6548
  FragIndex	| 1
  FragRMSD	| 0.566