@<TRIPOS>MOLECULE
BindingDB_24137
 45 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.4446   80.0724   46.8915  C     
2    C        23.6417   80.1154   45.7361  C     
3    C        22.4002   80.7872   45.7445  C     
4    C        21.9444   81.3393   46.9616  C     
5    C        24.0416   80.7184   48.0859  C     
6    C        22.7514   81.3272   48.1226  C     
7    C        24.9571   80.9349   49.2600  C     
8    C        22.2136   81.9388   49.3802  C     
9    C        24.1137   80.9658   50.5719  C     
10   N        23.1897   82.0802   50.4520  N     
11   C        26.2523   80.1772   49.3454  C     
12   C        28.8872   79.1336   49.5996  C     
13   C        28.5573   79.9491   48.5049  C     
14   C        27.2585   80.4701   48.3881  C     
15   C        26.5926   79.3037   50.4153  C     
16   C        27.9106   78.8103   50.5593  C     
17   C        23.4482   83.2652   51.0500  C     
18   O        24.6045   83.4766   51.4081  O     
19   N        22.5568   84.2514   51.2779  N     
20   C        22.9965   85.6225   51.4766  C     
21   C        21.1567   83.9617   51.4986  C     
22   O        28.2886   78.0676   51.6354  O     
23   C        21.6229   80.9430   44.4842  C     
24   H        25.3545   79.6132   46.8289  H     
25   H        23.9809   79.6819   44.8723  H     
26   H        21.0284   81.7961   46.9941  H     
27   H        25.2871   81.9765   49.1487  H     
28   H        21.8005   82.9112   49.0955  H     
29   H        21.3855   81.3177   49.7375  H     
30   H        23.5585   80.0330   50.6996  H     
31   H        24.7623   81.0609   51.4469  H     
32   H        29.8465   78.7928   49.7018  H     
33   H        29.2623   80.1840   47.8049  H     
34   H        27.0603   81.0987   47.6054  H     
35   H        25.9022   79.0607   51.1325  H     
36   H        23.6583   85.6857   52.3440  H     
37   H        22.1724   86.3131   51.6509  H     
38   H        23.5471   85.9697   50.5951  H     
39   H        20.5900   84.1388   50.5759  H     
40   H        20.7328   84.5901   52.2934  H     
41   H        21.0037   82.9199   51.8169  H     
42   H        27.4707   77.8074   52.1066  H     
43   H        22.1898   81.5536   43.7727  H     
44   H        20.6588   81.4326   44.6587  H     
45   H        21.4335   79.9675   44.0305  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    3    4 2
     5    3   23 1
     6    4    6 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    1   24 1
    27    2   25 1
    28    4   26 1
    29    7   27 1
    30    8   28 1
    31    8   29 1
    32    9   30 1
    33    9   31 1
    34   12   32 1
    35   13   33 1
    36   14   34 1
    37   15   35 1
    38   20   36 1
    39   20   37 1
    40   20   38 1
    41   21   39 1
    42   21   40 1
    43   21   41 1
    44   22   42 1
    45   23   43 1
    46   23   44 1
    47   23   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.2955
  Crash		| -1.6023
  Polar		| 0.3865
  FragIndex	| 1
  FragRMSD	| 1.359