@<TRIPOS>MOLECULE
BindingDB_14794
 38 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.6067    5.4904   11.8575  C     
2    C        14.5368    5.8805   11.0507  C     
3    N        15.1301    5.2594   13.0882  N     
4    N        13.8558    5.4999   13.1254  N     
5    C        17.0314    5.3491   11.5098  C     
6    C        14.5996    6.1576    9.6677  C     
7    O        15.7578    6.5673    9.1040  O     
8    O        13.5285    5.8837    8.8809  O     
9    C        13.3880    6.0274    7.4629  C     
10   C        12.0146    6.6416    7.1397  C     
11   C        13.1650    5.4186   14.3028  C     
12   C        12.6968    6.5842   14.9472  C     
13   C        12.0836    6.5141   16.2109  C     
14   C        11.9042    5.2718   16.8465  C     
15   C        12.3347    4.1001   16.1921  C     
16   C        12.9715    4.1728   14.9400  C     
17   C        13.4229    5.8940   11.9010  C     
18   C        12.0499    6.3655   11.5905  C     
19   O        11.4414    5.2389   18.1347  O     
20   C        10.2358    4.4833   18.3186  C     
21   H        17.1410    4.6888   10.6504  H     
22   H        17.5928    4.9300   12.3469  H     
23   H        17.4478    6.3277   11.2640  H     
24   H        14.1786    6.6504    7.0358  H     
25   H        13.4474    5.0332    7.0159  H     
26   H        11.2169    6.0258    7.5613  H     
27   H        11.8799    6.6949    6.0570  H     
28   H        11.9458    7.6476    7.5590  H     
29   H        12.8422    7.4982   14.5146  H     
30   H        11.8005    7.3746   16.6837  H     
31   H        12.2041    3.1905   16.6356  H     
32   H        13.3066    3.3102   14.4996  H     
33   H        11.7690    6.1906   10.5548  H     
34   H        11.9863    7.4378   11.8021  H     
35   H        11.3231    5.8462   12.2155  H     
36   H         9.4270    4.8616   17.6883  H     
37   H         9.9297    4.5795   19.3605  H     
38   H        10.4032    3.4254   18.1130  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    5 1
     4    2    6 1
     5    2   17 2
     6    3    4 1
     7    4   11 1
     8    4   17 1
     9    6    7 2
    10    6    8 1
    11    8    9 1
    12    9   10 1
    13   11   12 2
    14   11   16 1
    15   12   13 1
    16   13   14 2
    17   14   15 1
    18   14   19 1
    19   15   16 2
    20   17   18 1
    21   19   20 1
    22    5   21 1
    23    5   22 1
    24    5   23 1
    25    9   24 1
    26    9   25 1
    27   10   26 1
    28   10   27 1
    29   10   28 1
    30   12   29 1
    31   13   30 1
    32   15   31 1
    33   16   32 1
    34   18   33 1
    35   18   34 1
    36   18   35 1
    37   20   36 1
    38   20   37 1
    39   20   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8416
  Crash		| -0.4290
  Polar		| 1.1397
  FragIndex	| 1
  FragRMSD	| 0.318