@<TRIPOS>MOLECULE
BindingDB_14361
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        44.5429    1.4464   -9.9464  C     
2    N        49.4078    2.3812   -8.7022  N     
3    C        48.9666    3.5574   -8.3336  C     
4    C        46.0992    1.6963   -8.0337  C     
5    C        45.8208    1.7739   -9.4196  C     
6    C        47.4524    1.9932   -7.4481  C     
7    O        44.2763    1.4258  -11.2972  O     
8    C        47.8224    3.5012   -7.4666  C     
9    C        43.4742    1.2437   -9.0254  C     
10   C        48.6310    1.3036   -8.2189  C     
11   O        49.5618    4.5853   -8.6212  O     
12   C        45.0434    1.3768   -7.1579  C     
13   C        43.7468    1.1583   -7.6513  C     
14   C        45.2812    1.1832  -12.2768  C     
15   O        42.1706    1.1259   -9.3754  O     
16   C        41.4513    2.2496   -9.9764  C     
17   C        45.1843   -0.2610  -12.8066  C     
18   C        45.0153    2.0460  -13.5340  C     
19   C        45.4746    1.2284  -14.7527  C     
20   C        45.6928   -0.2153  -14.2600  C     
21   H        50.2077    2.2599   -9.2078  H     
22   H        46.6022    2.0332  -10.0457  H     
23   H        47.5351    1.6542   -6.4086  H     
24   H        48.1103    3.8564   -6.4674  H     
25   H        47.0204    4.1293   -7.8380  H     
26   H        48.2984    0.6762   -9.0631  H     
27   H        49.2577    0.6812   -7.5422  H     
28   H        45.1824    1.3261   -6.1342  H     
29   H        42.9785    0.9877   -7.0171  H     
30   H        46.2968    1.3634  -11.9487  H     
31   H        41.7332    3.2342   -9.5204  H     
32   H        40.3989    2.1150   -9.8002  H     
33   H        41.6723    2.3227  -11.0596  H     
34   H        45.7897   -0.9285  -12.1850  H     
35   H        44.1529   -0.6322  -12.7984  H     
36   H        43.9469    2.2837  -13.6287  H     
37   H        45.5559    2.9995  -13.4518  H     
38   H        44.7105    1.2485  -15.5319  H     
39   H        46.3913    1.6291  -15.1554  H     
40   H        46.7493   -0.4711  -14.2776  H     
41   H        45.1596   -0.9321  -14.8884  H     
@<TRIPOS>BOND
     1    1    5 2
     2    1    7 1
     3    1    9 1
     4    2    3 1
     5    2   10 1
     6    3    8 1
     7    3   11 2
     8    4    5 1
     9    4    6 1
    10    4   12 2
    11    6    8 1
    12    6   10 1
    13    7   14 1
    14    9   13 2
    15    9   15 1
    16   12   13 1
    17   14   17 1
    18   14   18 1
    19   15   16 1
    20   17   20 1
    21   18   19 1
    22   19   20 1
    23    2   21 1
    24    5   22 1
    25    6   23 1
    26    8   24 1
    27    8   25 1
    28   10   26 1
    29   10   27 1
    30   12   28 1
    31   13   29 1
    32   14   30 1
    33   16   31 1
    34   16   32 1
    35   16   33 1
    36   17   34 1
    37   17   35 1
    38   18   36 1
    39   18   37 1
    40   19   38 1
    41   19   39 1
    42   20   40 1
    43   20   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0463
  Crash		| -1.0235
  Polar		| 1.1179
  FragIndex	| 1
  FragRMSD	| 1.050