@<TRIPOS>MOLECULE
BindingDB_24142
 45 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.4495   80.1196   46.8362  C     
2    C        23.6633   79.9269   45.6912  C     
3    C        22.4265   80.5855   45.5663  C     
4    C        21.9334   81.4017   46.6121  C     
5    C        24.0069   80.9595   47.8963  C     
6    C        22.7044   81.5550   47.8039  C     
7    C        24.9366   81.3668   48.9974  C     
8    C        22.1471   82.3029   48.9782  C     
9    C        24.1569   81.7317   50.2880  C     
10   N        23.1421   82.6920   49.9583  N     
11   C        26.1730   80.5509   49.2619  C     
12   C        28.6359   79.1870   49.7523  C     
13   C        28.4361   79.8554   48.5315  C     
14   C        27.2309   80.5555   48.3121  C     
15   C        26.3700   79.8062   50.4553  C     
16   C        27.6050   79.1558   50.7098  C     
17   C        23.0144   83.8325   50.6475  C     
18   O        21.8892   84.0959   51.0725  O     
19   N        23.9958   84.7373   50.8079  N     
20   C        23.8979   85.8241   51.7664  C     
21   C        25.0932   84.7931   49.8771  C     
22   O        27.8375   78.5248   51.8914  O     
23   C        20.6446   82.1225   46.3865  C     
24   H        25.3751   79.6847   46.8735  H     
25   H        24.0077   79.3516   44.9176  H     
26   H        21.9001   80.4869   44.6943  H     
27   H        25.3023   82.3259   48.6345  H     
28   H        21.6321   83.2078   48.6132  H     
29   H        21.4052   81.6660   49.4738  H     
30   H        23.6774   80.8349   50.6932  H     
31   H        24.8514   82.0850   51.0564  H     
32   H        29.5268   78.7131   49.9349  H     
33   H        29.1694   79.8536   47.8254  H     
34   H        27.1374   81.0814   47.4405  H     
35   H        25.6369   79.7569   51.1717  H     
36   H        23.6944   86.7699   51.2534  H     
37   H        24.8469   85.9149   52.3113  H     
38   H        23.1163   85.6920   52.5113  H     
39   H        25.8778   84.0932   50.1802  H     
40   H        25.5377   85.7851   49.8140  H     
41   H        24.7727   84.5200   48.8572  H     
42   H        27.0544   77.9624   52.0567  H     
43   H        20.1646   81.8720   45.4364  H     
44   H        20.8464   83.2006   46.3804  H     
45   H        19.9445   81.8823   47.1939  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    1   24 1
    27    2   25 1
    28    3   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	| 6.0264
  Crash		| -2.1452
  Polar		| 0.9429
  FragIndex	| 1
  FragRMSD	| 0.991