@<TRIPOS>MOLECULE
BindingDB_24143
 48 50 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.3773   79.9398   46.9412  C     
2    C        23.6099   79.7542   45.7856  C     
3    C        22.4826   80.5498   45.5575  C     
4    C        22.0805   81.5433   46.4830  C     
5    C        24.0255   80.9240   47.8906  C     
6    C        22.8702   81.7366   47.6616  C     
7    C        24.9113   81.2095   49.0668  C     
8    C        22.4983   82.7713   48.6849  C     
9    C        24.0390   81.6593   50.2744  C     
10   N        23.3162   82.8340   49.8755  N     
11   C        25.8918   80.1799   49.5391  C     
12   C        27.6777   78.4135   50.8488  C     
13   C        26.3354   78.0459   50.6498  C     
14   C        25.4509   78.9144   49.9883  C     
15   C        27.2620   80.5086   49.6947  C     
16   C        28.1519   79.6343   50.3445  C     
17   C        23.2674   83.8946   50.6843  C     
18   O        22.7626   83.6922   51.7853  O     
19   N        23.9490   85.0315   50.4492  N     
20   C        23.8616   86.1763   51.3321  C     
21   C        24.8885   85.1278   49.3479  C     
22   O        29.4464   80.0022   50.5175  O     
23   C        20.8123   82.2915   46.1832  C     
24   C        21.0065   83.7847   45.8178  C     
25   H        25.2095   79.3629   47.0695  H     
26   H        23.8756   79.0429   45.1039  H     
27   H        21.9465   80.3862   44.7006  H     
28   H        25.4829   82.0857   48.7487  H     
29   H        22.5158   83.7384   48.1887  H     
30   H        21.4757   82.5851   49.0213  H     
31   H        23.3263   80.8756   50.5520  H     
32   H        24.6781   81.8540   51.1453  H     
33   H        28.3058   77.7946   51.3665  H     
34   H        25.9939   77.1537   51.0114  H     
35   H        24.4712   78.6412   49.8848  H     
36   H        27.6173   81.4100   49.3691  H     
37   H        23.1230   86.0707   52.1281  H     
38   H        23.5833   87.0626   50.7586  H     
39   H        24.8329   86.3522   51.8011  H     
40   H        25.4455   86.0630   49.3482  H     
41   H        24.3768   85.0587   48.3894  H     
42   H        25.6324   84.3320   49.4173  H     
43   H        29.9966   79.2358   50.2495  H     
44   H        20.3015   81.8283   45.3346  H     
45   H        20.1133   82.2022   47.0189  H     
46   H        21.1821   84.3948   46.7048  H     
47   H        20.1013   84.1601   45.3330  H     
48   H        21.8447   83.9115   45.1278  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    3    4 2
     5    4    6 1
     6    4   23 1
     7    5    6 2
     8    5    7 1
     9    6    8 1
    10    7    9 1
    11    7   11 1
    12    8   10 1
    13    9   10 1
    14   10   17 am
    15   11   14 2
    16   11   15 1
    17   12   13 2
    18   12   16 1
    19   13   14 1
    20   15   16 2
    21   16   22 1
    22   17   18 2
    23   17   19 am
    24   19   20 1
    25   19   21 1
    26   23   24 1
    27    1   25 1
    28    2   26 1
    29    3   27 1
    30    7   28 1
    31    8   29 1
    32    8   30 1
    33    9   31 1
    34    9   32 1
    35   12   33 1
    36   13   34 1
    37   14   35 1
    38   15   36 1
    39   20   37 1
    40   20   38 1
    41   20   39 1
    42   21   40 1
    43   21   41 1
    44   21   42 1
    45   22   43 1
    46   23   44 1
    47   23   45 1
    48   24   46 1
    49   24   47 1
    50   24   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7118
  Crash		| -3.2249
  Polar		| 0.4523
  FragIndex	| 1
  FragRMSD	| 1.393