@<TRIPOS>MOLECULE
BindingDB_50224901
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.5964    9.4817  -20.5662  C     
2    C         0.9662    8.4155  -19.7247  C     
3    C         0.0225    7.8860  -18.8249  C     
4    C        -1.2965    8.3938  -18.7436  C     
5    C        -1.6802    9.4488  -19.6158  C     
6    C        -0.7247    9.9675  -20.5315  C     
7    N        -2.9775    9.8991  -19.5039  N     
8    C        -3.6774   10.8630  -20.1106  C     
9    N        -4.9550   11.1346  -19.8459  N     
10   O        -3.1849   11.5666  -20.9835  O     
11   C        -5.7924   10.5551  -18.9457  C     
12   N        -5.3885    9.5896  -18.0835  N     
13   C        -6.1928    8.9649  -17.1866  C     
14   C        -7.5330    9.3772  -17.1012  C     
15   N        -7.9639   10.3485  -17.9536  N     
16   C        -7.1439   10.9539  -18.8556  C     
17   C        -8.3623    8.8427  -16.2653  C     
18   N        -9.0773    8.3493  -15.5091  N     
19   O        -5.6455    8.0423  -16.3450  O     
20   O        -2.2572    7.9280  -17.8532  O     
21   C        -1.9227    6.9718  -16.8164  C     
22   C        -5.2949    6.8126  -17.0214  C     
23   C        -3.0291    6.8079  -15.7389  C     
24   C        -4.3020    6.0189  -16.1471  C     
25   Cl        1.7087   10.2131  -21.6175  Cl    
26   N         2.2014    7.8803  -19.7600  N     
27   H         0.3176    7.1222  -18.2188  H     
28   H        -0.9706   10.7169  -21.1799  H     
29   H        -3.4780    9.4168  -18.8389  H     
30   H        -5.3501   11.8424  -20.3800  H     
31   H        -7.5217   11.6841  -19.4702  H     
32   H        -1.7036    5.9942  -17.2678  H     
33   H        -1.0284    7.3272  -16.2878  H     
34   H        -6.2122    6.2144  -17.1533  H     
35   H        -4.8372    6.9664  -18.0063  H     
36   H        -2.5831    6.2632  -14.9012  H     
37   H        -3.2993    7.7987  -15.3587  H     
38   H        -4.8260    5.7160  -15.2362  H     
39   H        -4.0162    5.1037  -16.6709  H     
40   H         2.4300    7.1433  -19.1706  H     
41   H         2.8620    8.2087  -20.3895  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   25 1
     4    2    3 1
     5    2   26 1
     6    3    4 2
     7    4    5 1
     8    4   20 1
     9    5    6 2
    10    5    7 1
    11    7    8 1
    12    8    9 1
    13    8   10 2
    14    9   11 1
    15   11   12 2
    16   11   16 1
    17   12   13 1
    18   13   14 2
    19   13   19 1
    20   14   15 1
    21   14   17 1
    22   15   16 2
    23   17   18 3
    24   19   22 1
    25   20   21 1
    26   21   23 1
    27   22   24 1
    28   23   24 1
    29    3   27 1
    30    6   28 1
    31    7   29 1
    32    9   30 1
    33   16   31 1
    34   21   32 1
    35   21   33 1
    36   22   34 1
    37   22   35 1
    38   23   36 1
    39   23   37 1
    40   24   38 1
    41   24   39 1
    42   26   40 1
    43   26   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.1004
  Crash		| -1.3647
  Polar		| 1.8987
  FragIndex	| 1
  FragRMSD	| 0.826