@<TRIPOS>MOLECULE
BindingDB_17140
 45 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -0.8876   31.2315    7.9058  C     
2    C         0.8146   30.7542    6.6682  C     
3    N        -0.0131   31.6979    7.0492  N     
4    O         1.7182   30.9538    5.8763  O     
5    O        -1.7540   31.9323    8.3976  O     
6    C        -0.6385   29.9011    8.1064  C     
7    C         0.4725   29.5910    7.3012  C     
8    C         0.9998   28.2758    7.2727  C     
9    C         0.3848   27.2855    8.0546  C     
10   C         2.0620   27.6384    6.6176  C     
11   C         2.0346   26.2928    7.0179  C     
12   C         3.0055   25.3848    6.5455  C     
13   C         3.9993   25.8350    5.6561  C     
14   C         4.0258   27.1822    5.2480  C     
15   C         3.0611   28.0890    5.7275  C     
16   C        -0.7256   27.5975    8.8683  C     
17   C        -1.2481   28.8997    8.9030  C     
18   N        -1.4290   26.7816    9.6843  N     
19   N         1.0007   26.0945    7.8795  N     
20   C        -1.1265   25.3896    9.9140  C     
21   C         0.0826   25.1899   10.8585  C     
22   C         1.2143   24.7096    9.9355  C     
23   C         0.6284   24.8530    8.5169  C     
24   O        -0.7913   24.7290    8.6850  O     
25   C        -2.3242   28.8512    9.7985  C     
26   C        -2.4067   27.5287   10.2651  C     
27   C        -3.3919   27.1637   11.2079  C     
28   C        -3.2359   29.8231   10.2623  C     
29   C        -4.2240   29.4589   11.1971  C     
30   C        -4.2999   28.1353   11.6704  C     
31   H         0.0200   32.6155    6.7416  H     
32   H         3.0032   24.4089    6.8444  H     
33   H         4.7065   25.1838    5.3099  H     
34   H         4.7493   27.5044    4.6014  H     
35   H         3.1088   29.0558    5.4213  H     
36   H        -1.9984   24.8717   10.3194  H     
37   H         0.3587   26.1188   11.3661  H     
38   H        -0.1375   24.4330   11.6173  H     
39   H         2.1247   25.3008   10.0672  H     
40   H         1.4447   23.6608   10.1408  H     
41   H         0.9444   24.0102    7.8996  H     
42   H        -3.4568   26.2072   11.5594  H     
43   H        -3.1998   30.7857    9.9405  H     
44   H        -4.8877   30.1580   11.5349  H     
45   H        -5.0177   27.8782   12.3520  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    5 2
     3    1    6 1
     4    2    3 1
     5    2    4 2
     6    2    7 1
     7    6    7 1
     8    6   17 2
     9    7    8 2
    10    8    9 1
    11    8   10 1
    12    9   16 2
    13    9   19 1
    14   10   11 2
    15   10   15 1
    16   11   12 1
    17   11   19 1
    18   12   13 2
    19   13   14 1
    20   14   15 2
    21   16   17 1
    22   16   18 1
    23   17   25 1
    24   18   20 1
    25   18   26 1
    26   19   23 1
    27   20   21 1
    28   20   24 1
    29   21   22 1
    30   22   23 1
    31   23   24 1
    32   25   26 2
    33   25   28 1
    34   26   27 1
    35   27   30 2
    36   28   29 2
    37   29   30 1
    38    3   31 1
    39   12   32 1
    40   13   33 1
    41   14   34 1
    42   15   35 1
    43   20   36 1
    44   21   37 1
    45   21   38 1
    46   22   39 1
    47   22   40 1
    48   23   41 1
    49   27   42 1
    50   28   43 1
    51   29   44 1
    52   30   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.1524
  Crash		| -0.3653
  Polar		| 2.1682
  FragIndex	| 1
  FragRMSD	| 0.246