@<TRIPOS>MOLECULE
BindingDB_6633
 60 65 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.1536    8.7869   25.1098  C     
2    O         4.6449    8.6349   24.0099  O     
3    N         4.2955    9.0103   26.0867  N     
4    C         4.4801    9.2364   27.4212  C     
5    C         4.4526    9.6360   30.2543  C     
6    C         3.6209    8.6728   29.6622  C     
7    C         3.6189    8.4959   28.2648  C     
8    C         5.2700   10.4125   29.4161  C     
9    C         5.3074   10.2227   28.0245  C     
10   C         6.0973   11.4353   29.7525  C     
11   C         6.1328   11.3123   27.4611  C     
12   C         8.3480   12.2421   27.1187  C     
13   C         7.8664   12.6129   28.5350  C     
14   C         7.4440   11.0649   26.6931  C     
15   N         6.6160   11.9383   28.6476  N     
16   O         6.4371   11.7184   30.8953  O     
17   N         6.4606    8.6722   25.2909  N     
18   C         7.4346    8.5807   24.3574  C     
19   C         7.4106    8.5812   22.9623  C     
20   C         8.7376    8.5576   22.5542  C     
21   N         8.7272    8.5438   24.7248  N     
22   N         9.4772    8.5272   23.6723  N     
23   C         9.2755    8.6212   21.1813  C     
24   N         9.2862    7.3300   20.4532  N     
25   C         9.9116    6.1534   21.1120  C     
26   C        10.4029    5.1255   20.0537  C     
27   C         8.9679    5.3722   22.0771  C     
28   C         9.1936    3.9692   21.7327  C     
29   C         9.9867    3.8349   20.5893  C     
30   C         8.9584    1.5512   21.8628  C     
31   C         9.7588    1.4165   20.7024  C     
32   C        10.2738    2.5597   20.0609  C     
33   C         8.6659    2.8351   22.3761  C     
34   Cl       10.0995   -0.1275   20.0917  Cl    
35   H         3.3683    8.8776   25.8373  H     
36   H         4.4540    9.7726   31.2692  H     
37   H         3.0222    8.0913   30.2483  H     
38   H         2.9778    7.8035   27.8681  H     
39   H         5.5002   12.0153   26.9113  H     
40   H         9.4044   11.9598   27.1109  H     
41   H         8.2057   13.0883   26.4386  H     
42   H         8.5836   12.2479   29.2761  H     
43   H         7.7403   13.6924   28.6454  H     
44   H         7.8819   10.1032   26.9859  H     
45   H         7.2839   11.0857   25.6116  H     
46   H         6.7658    8.7075   26.2155  H     
47   H         6.5940    8.6434   22.3512  H     
48   H        10.4452    8.5122   23.6940  H     
49   H         8.6563    9.3191   20.6170  H     
50   H        10.2863    9.0334   21.1884  H     
51   H         8.3226    7.0929   20.1914  H     
52   H         9.8094    7.4939   19.5857  H     
53   H        10.7921    6.4879   21.6788  H     
54   H         9.9406    5.2799   19.0785  H     
55   H        11.4904    5.1576   19.9506  H     
56   H         9.2341    5.5628   23.1255  H     
57   H         7.9117    5.6213   21.9167  H     
58   H         8.5833    0.7253   22.3295  H     
59   H        10.8493    2.4733   19.2200  H     
60   H         8.0720    2.9345   23.2030  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 am
     3    1   17 am
     4    3    4 1
     5    4    7 2
     6    4    9 1
     7    5    6 2
     8    5    8 1
     9    6    7 1
    10    8    9 2
    11    8   10 1
    12    9   11 1
    13   10   15 1
    14   10   16 2
    15   11   14 1
    16   11   15 1
    17   12   13 1
    18   12   14 1
    19   13   15 1
    20   17   18 1
    21   18   19 1
    22   18   21 2
    23   19   20 2
    24   20   22 1
    25   20   23 1
    26   21   22 1
    27   23   24 1
    28   25   24 1
    29   25   26 1
    30   25   27 1
    31   26   29 1
    32   27   28 1
    33   28   29 2
    34   28   33 1
    35   29   32 1
    36   30   31 1
    37   30   33 2
    38   31   32 2
    39   31   34 1
    40    3   35 1
    41    5   36 1
    42    6   37 1
    43    7   38 1
    44   11   39 1
    45   12   40 1
    46   12   41 1
    47   13   42 1
    48   13   43 1
    49   14   44 1
    50   14   45 1
    51   17   46 1
    52   19   47 1
    53   22   48 1
    54   23   49 1
    55   23   50 1
    56   24   51 1
    57   24   52 1
    58   25   53 1
    59   26   54 1
    60   26   55 1
    61   27   56 1
    62   27   57 1
    63   30   58 1
    64   32   59 1
    65   33   60 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.5183
  Crash		| -2.5777
  Polar		| 2.2769
  FragIndex	| 1
  FragRMSD	| 1.023