@<TRIPOS>MOLECULE
BindingDB_7533
 52 54 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        25.9835   27.5899   27.2108  C     
2    N        26.8562   28.6230   27.3239  N     
3    N        24.7475   27.6945   27.7857  N     
4    C        25.2865   29.8300   28.6589  C     
5    C        26.5229   29.7343   28.0276  C     
6    C        26.3796   31.6389   29.0263  C     
7    N        25.2109   31.0168   29.2771  N     
8    N        27.1848   30.8834   28.2506  N     
9    C        24.3590   28.7844   28.5071  C     
10   N        23.1263   28.9206   29.0453  N     
11   N        26.4126   26.5129   26.5159  N     
12   C        21.9506   28.2151   28.6423  C     
13   C        21.4410   27.2588   29.6545  C     
14   C        20.2532   25.5232   31.5583  C     
15   C        20.2171   25.1969   30.1881  C     
16   C        20.8168   26.0530   29.2454  C     
17   C        21.4597   27.5729   31.0365  C     
18   C        20.8836   26.7078   31.9824  C     
19   C        25.7178   25.2739   26.3166  C     
20   C        25.0096   25.3468   24.9347  C     
21   O        24.3582   24.1131   24.6136  O     
22   C        29.5964   30.2859   28.0800  C     
23   C        28.4685   31.2882   27.7177  C     
24   C        28.3859   31.5350   26.1865  C     
25   C        26.6579   24.0219   26.4504  C     
26   C        28.1149   24.2729   26.9075  C     
27   H        26.6027   32.5723   29.3697  H     
28   H        22.9953   29.6157   29.7073  H     
29   H        27.2749   26.5997   26.0796  H     
30   H        21.1791   28.9713   28.4815  H     
31   H        22.1136   27.7196   27.6743  H     
32   H        19.8080   24.9098   32.2427  H     
33   H        19.7377   24.3434   29.8832  H     
34   H        20.7567   25.8026   28.2531  H     
35   H        21.8894   28.4414   31.3596  H     
36   H        20.9015   26.9540   32.9740  H     
37   H        24.9227   25.1697   27.0634  H     
38   H        24.2468   26.1367   24.9436  H     
39   H        25.7323   25.5718   24.1471  H     
40   H        23.4279   24.3502   24.4169  H     
41   H        29.6422   30.1451   29.1596  H     
42   H        30.5635   30.6640   27.7459  H     
43   H        29.4261   29.3152   27.6109  H     
44   H        28.7515   32.2461   28.1652  H     
45   H        28.1920   30.6027   25.6491  H     
46   H        29.3244   31.9600   25.8201  H     
47   H        27.5791   32.2390   25.9627  H     
48   H        26.2158   23.3290   27.1690  H     
49   H        26.7109   23.4813   25.5001  H     
50   H        28.6373   24.9245   26.2046  H     
51   H        28.6577   23.3246   26.9627  H     
52   H        28.1261   24.7314   27.8979  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1   11 1
     4    2    5 2
     5    3    9 1
     6    4    5 1
     7    4    7 1
     8    4    9 2
     9    5    8 1
    10    6    7 2
    11    6    8 1
    12    8   23 1
    13    9   10 1
    14   10   12 1
    15   11   19 1
    16   12   13 1
    17   13   16 2
    18   13   17 1
    19   14   15 2
    20   14   18 1
    21   15   16 1
    22   17   18 2
    23   19   20 1
    24   19   25 1
    25   20   21 1
    26   22   23 1
    27   23   24 1
    28   25   26 1
    29    6   27 1
    30   10   28 1
    31   11   29 1
    32   12   30 1
    33   12   31 1
    34   14   32 1
    35   15   33 1
    36   16   34 1
    37   17   35 1
    38   18   36 1
    39   19   37 1
    40   20   38 1
    41   20   39 1
    42   21   40 1
    43   22   41 1
    44   22   42 1
    45   22   43 1
    46   23   44 1
    47   24   45 1
    48   24   46 1
    49   24   47 1
    50   25   48 1
    51   25   49 1
    52   26   50 1
    53   26   51 1
    54   26   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.2097
  Crash		| -0.9142
  Polar		| 3.2185
  FragIndex	| 1
  FragRMSD	| 0.613