@<TRIPOS>MOLECULE
BindingDB_14279
 56 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.3610   23.9169   78.8108  C     
2    C        16.0796   23.4651   77.5052  C     
3    C        15.4416   22.2221   77.2983  C     
4    C        16.0188   23.1253   79.9298  C     
5    C        15.3854   21.8888   79.7120  C     
6    C        15.0963   21.4531   78.4207  C     
7    C        14.3979   19.9724   79.8498  C     
8    N        14.4917   20.2657   78.5386  N     
9    N        14.9423   20.9669   80.5821  N     
10   C        13.7743   18.7489   80.4018  C     
11   C        14.4872   17.4662   79.8920  C     
12   C        15.8296   17.2586   80.5065  C     
13   C        15.9384   16.6720   81.7862  C     
14   C        17.0166   17.5773   79.8117  C     
15   C        18.2701   17.2569   80.3618  C     
16   C        18.3789   16.5597   81.5873  C     
17   C        17.1903   16.3149   82.3134  C     
18   C        19.7213   16.0394   81.9868  C     
19   C        20.7465   17.1199   82.4104  C     
20   S        19.9335   14.7706   83.2494  S     
21   O        19.8683   13.3509   82.5291  O     
22   O        19.1187   14.9446   84.6127  O     
23   N        21.5179   15.2276   83.5547  N     
24   C        21.8057   16.4233   83.1052  C     
25   O        22.8772   16.9532   83.3753  O     
26   N        12.3981   18.7248   80.0088  N     
27   C        11.3897   19.3824   80.6201  C     
28   C         9.7811   20.7096   82.0418  C     
29   C         9.2204   20.0078   80.9642  C     
30   C         8.9989   21.4764   82.9215  C     
31   C         7.6063   21.5327   82.7027  C     
32   C         7.0242   20.8309   81.6210  C     
33   C         7.8308   20.0690   80.7504  C     
34   N        10.1015   19.2999   80.2133  N     
35   S        11.4659   20.4044   82.0122  S     
36   Cl        6.6264   22.4489   83.7358  Cl    
37   H        16.8193   24.8201   78.9492  H     
38   H        16.3350   24.0434   76.7016  H     
39   H        15.2278   21.8942   76.3553  H     
40   H        16.2270   23.4463   80.8762  H     
41   H        14.1735   19.7048   77.8105  H     
42   H        13.8363   18.7521   81.4965  H     
43   H        13.8654   16.5922   80.1236  H     
44   H        14.5683   17.5008   78.8002  H     
45   H        15.0959   16.4333   82.3089  H     
46   H        16.9711   18.0258   78.8913  H     
47   H        19.1098   17.4770   79.8199  H     
48   H        17.2088   15.8319   83.2094  H     
49   H        20.1252   15.5513   81.0961  H     
50   H        21.1436   17.6299   81.5303  H     
51   H        20.2888   17.8549   83.0773  H     
52   H        22.1405   14.6895   84.0612  H     
53   H        12.1641   18.1819   79.2376  H     
54   H         9.4328   21.9665   83.7053  H     
55   H         6.0147   20.8672   81.4629  H     
56   H         7.4118   19.5461   79.9788  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    3    6 2
     5    4    5 2
     6    5    6 1
     7    5    9 1
     8    6    8 1
     9    7    8 1
    10    7    9 2
    11    7   10 1
    12   10   11 1
    13   10   26 1
    14   11   12 1
    15   12   13 1
    16   12   14 2
    17   13   17 2
    18   14   15 1
    19   15   16 2
    20   16   17 1
    21   16   18 1
    22   18   19 1
    23   18   20 1
    24   19   24 1
    25   20   21 2
    26   20   22 2
    27   20   23 1
    28   23   24 1
    29   24   25 2
    30   26   27 1
    31   27   34 2
    32   27   35 1
    33   28   29 2
    34   28   30 1
    35   28   35 1
    36   29   33 1
    37   29   34 1
    38   30   31 2
    39   31   32 1
    40   31   36 1
    41   32   33 2
    42    1   37 1
    43    2   38 1
    44    3   39 1
    45    4   40 1
    46    8   41 1
    47   10   42 1
    48   11   43 1
    49   11   44 1
    50   13   45 1
    51   14   46 1
    52   15   47 1
    53   17   48 1
    54   18   49 1
    55   19   50 1
    56   19   51 1
    57   23   52 1
    58   26   53 1
    59   30   54 1
    60   32   55 1
    61   33   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.9655
  Crash		| -2.5117
  Polar		| 5.2118
  FragIndex	| 1
  FragRMSD	| 1.138