@<TRIPOS>MOLECULE
BindingDB_15250
 45 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.4953   10.9939  -19.7942  C     
2    O        -3.9841   11.4917  -20.8030  O     
3    N        -3.8351   10.1235  -19.0342  N     
4    N        -5.7524   11.3474  -19.6345  N     
5    C        -2.5264    9.6910  -19.1007  C     
6    C        -1.4978   10.3462  -19.8388  C     
7    C        -2.1800    8.5385  -18.3468  C     
8    C        -0.1830    9.8526  -19.8657  C     
9    C        -0.8309    8.1076  -18.3081  C     
10   C         0.1548    8.7399  -19.0804  C     
11   Cl        0.9939   10.5967  -20.8310  Cl    
12   N        -6.3629   10.4886  -17.4271  N     
13   N        -8.9665   11.1230  -18.0112  N     
14   C        -6.6660   11.0010  -18.6623  C     
15   C        -8.6735   10.6039  -16.7948  C     
16   C        -8.0109   11.3305  -18.9503  C     
17   C        -7.3291   10.2769  -16.4734  C     
18   O        -7.0510    9.8888  -15.1731  O     
19   O        -3.1595    7.8330  -17.6671  O     
20   C        -3.2711    6.4470  -18.0720  C     
21   C        -5.8917    9.0827  -14.9048  C     
22   C        -9.6582   10.4952  -15.9424  C     
23   N       -10.5500   10.4031  -15.2220  N     
24   C        -6.0248    7.6651  -15.4864  C     
25   C        -4.5583    5.7481  -17.5541  C     
26   C        -4.6668    5.5323  -16.0165  C     
27   C        -4.7729    6.8092  -15.1498  C     
28   H        -4.3695    9.7058  -18.3339  H     
29   H        -6.1106   11.9509  -20.3202  H     
30   H        -1.6952   11.1989  -20.3612  H     
31   H        -0.5643    7.2999  -17.7419  H     
32   H         1.1126    8.3889  -19.0572  H     
33   H        -8.2936   11.7304  -19.8594  H     
34   H        -3.3087    6.3862  -19.1693  H     
35   H        -2.3980    5.8807  -17.7177  H     
36   H        -4.9807    9.5641  -15.2886  H     
37   H        -5.8056    9.0014  -13.8132  H     
38   H        -6.9303    7.1810  -15.0947  H     
39   H        -6.1427    7.7808  -16.5643  H     
40   H        -5.4211    6.2947  -17.9423  H     
41   H        -4.5893    4.7475  -17.9950  H     
42   H        -5.5647    4.9371  -15.8225  H     
43   H        -3.8014    4.9589  -15.6646  H     
44   H        -3.8625    7.4007  -15.2709  H     
45   H        -4.8342    6.5251  -14.0919  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    4 1
     4    3    5 1
     5    4   14 1
     6    5    6 1
     7    5    7 2
     8    6    8 2
     9    7    9 1
    10    7   19 1
    11    8   10 1
    12    8   11 1
    13    9   10 2
    14   12   14 1
    15   12   17 2
    16   13   15 2
    17   13   16 1
    18   14   16 2
    19   15   17 1
    20   15   22 1
    21   17   18 1
    22   18   21 1
    23   19   20 1
    24   20   25 1
    25   21   24 1
    26   22   23 3
    27   24   27 1
    28   25   26 1
    29   26   27 1
    30    3   28 1
    31    4   29 1
    32    6   30 1
    33    9   31 1
    34   10   32 1
    35   16   33 1
    36   20   34 1
    37   20   35 1
    38   21   36 1
    39   21   37 1
    40   24   38 1
    41   24   39 1
    42   25   40 1
    43   25   41 1
    44   26   42 1
    45   26   43 1
    46   27   44 1
    47   27   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.5789
  Crash		| -5.1815
  Polar		| 1.4627
  FragIndex	| 1
  FragRMSD	| 1.096