@<TRIPOS>MOLECULE
BindingDB_50294113
 44 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       126.0248   57.1739   -6.6216  C     
2    C       124.6511   57.3689   -5.9213  C     
3    C       123.9403   58.7110   -6.3055  C     
4    C       122.3765   58.6623   -6.3343  C     
5    C       121.7185   59.1771   -7.6598  C     
6    C       122.2345   60.5784   -8.1330  C     
7    N       126.9975   58.2109   -6.2492  N     
8    N       121.3710   61.1724   -9.1162  N     
9    C       121.1364   62.4977   -9.3041  C     
10   N       121.6997   63.4744   -8.5422  N     
11   N       120.2649   62.7915  -10.2856  N     
12   C       121.4275   64.8816   -8.6327  C     
13   C       122.3239   65.6988   -7.8256  C     
14   C       122.4647   67.0445   -7.9001  C     
15   C       123.3373   67.7144   -6.9386  C     
16   C       121.7567   67.8431   -8.9046  C     
17   H       126.4361   56.1966   -6.3670  H     
18   H       125.8815   57.2197   -7.7054  H     
19   H       124.0282   56.5019   -6.1806  H     
20   H       124.8060   57.3347   -4.8345  H     
21   H       124.2341   59.4612   -5.5582  H     
22   H       124.3033   59.0767   -7.2699  H     
23   H       122.0377   57.6378   -6.1417  H     
24   H       121.9985   59.2937   -5.5180  H     
25   H       121.8915   58.4332   -8.4560  H     
26   H       120.6391   59.2300   -7.4751  H     
27   H       122.3295   61.2443   -7.2625  H     
28   H       123.2264   60.4621   -8.5817  H     
29   H       126.5661   59.1290   -6.2549  H     
30   H       127.7566   58.2132   -6.9237  H     
31   H       127.3738   58.0221   -5.3220  H     
32   H       120.9238   60.5727   -9.7350  H     
33   H       122.3450   63.1997   -7.8674  H     
34   H       120.0538   63.7110  -10.5038  H     
35   H       121.5038   65.1937   -9.6724  H     
36   H       120.4054   65.0565   -8.2924  H     
37   H       122.8837   65.2229   -7.1521  H     
38   H       122.9569   67.5656   -5.9253  H     
39   H       123.4190   68.7965   -7.1039  H     
40   H       124.3456   67.3052   -6.9982  H     
41   H       122.0757   67.5446   -9.9032  H     
42   H       121.9432   68.9138   -8.8106  H     
43   H       120.6804   67.6962   -8.8156  H     
44   H       119.8589   62.0873  -10.8035  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    2    3 1
     4    3    4 1
     5    4    5 1
     6    5    6 1
     7    6    8 1
     8    8    9 1
     9    9   10 1
    10    9   11 2
    11   10   12 1
    12   12   13 1
    13   13   14 2
    14   14   15 1
    15   14   16 1
    16    1   17 1
    17    1   18 1
    18    2   19 1
    19    2   20 1
    20    3   21 1
    21    3   22 1
    22    4   23 1
    23    4   24 1
    24    5   25 1
    25    5   26 1
    26    6   27 1
    27    6   28 1
    28    7   29 1
    29    7   30 1
    30    7   31 1
    31    8   32 1
    32   10   33 1
    33   11   34 1
    34   12   35 1
    35   12   36 1
    36   13   37 1
    37   15   38 1
    38   15   39 1
    39   15   40 1
    40   16   41 1
    41   16   42 1
    42   16   43 1
    43   11   44 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7303
  Crash		| -0.9703
  Polar		| 4.0299
  FragIndex	| 1
  FragRMSD	| 0.401