@<TRIPOS>MOLECULE
BindingDB_14696
 73 76 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.1888   28.0997   29.0494  C     
2    C        16.1906   27.0981   28.9496  C     
3    C        15.6931   26.4491   30.0927  C     
4    C        16.2052   26.7722   31.3656  C     
5    C        17.1945   27.7624   31.4858  C     
6    C        17.6896   28.4149   30.3425  C     
7    C        17.6787   28.7730   27.8952  C     
8    C        18.6448   30.1088   25.5479  C     
9    C        19.4921   29.2670   26.3044  C     
10   C        19.0141   28.5976   27.4470  C     
11   C        16.8425   29.6484   27.1566  C     
12   C        17.3168   30.3024   26.0056  C     
13   C        19.1290   30.7948   24.3138  C     
14   C        21.7237   31.4903   22.0191  C     
15   C        21.4855   31.0558   23.4877  C     
16   C        20.2750   28.9515   23.1651  C     
17   C        21.5818   29.0918   21.0025  C     
18   C        22.3842   30.4090   21.1288  C     
19   N        20.3042   30.2160   23.6539  N     
20   O        19.2868   28.2621   23.4067  O     
21   C        21.3345   28.3343   22.3492  C     
22   N        21.1834   26.9202   22.0970  N     
23   C        20.2007   26.3286   21.4352  C     
24   O        19.2309   26.9830   21.0697  O     
25   C        20.1167   24.8762   21.3190  C     
26   N        19.3412   24.3674   22.4264  N     
27   C        19.7097   24.3733   23.7088  C     
28   C        18.8096   23.8560   24.7059  C     
29   O        20.7931   24.8229   24.0659  O     
30   C        19.5773   24.3513   19.9377  C     
31   C        18.6387   25.2409   19.1985  C     
32   C        16.3840   26.0697   18.7520  C     
33   C        17.2436   25.1137   19.3207  C     
34   C        19.1525   26.3470   18.4802  C     
35   C        18.3097   27.3250   17.9045  C     
36   C        16.8969   27.1804   18.0397  C     
37   C        15.9918   28.1714   17.6074  C     
38   O        15.6407   28.2314   16.3010  O     
39   O        15.1384   28.7060   18.5103  O     
40   C        18.9174   28.4359   17.3335  C     
41   O        19.1343   28.4702   16.1244  O     
42   H        15.8163   26.8316   28.0344  H     
43   H        14.9707   25.7284   30.0026  H     
44   H        15.8413   26.2995   32.1956  H     
45   H        17.5543   28.0083   32.4152  H     
46   H        18.3915   29.1452   30.4634  H     
47   H        20.4596   29.1128   26.0105  H     
48   H        19.6492   27.9694   27.9488  H     
49   H        15.8868   29.8311   27.4641  H     
50   H        16.6870   30.9269   25.5002  H     
51   H        18.3295   30.7946   23.5602  H     
52   H        19.2737   31.8483   24.5980  H     
53   H        20.7742   31.7953   21.5676  H     
54   H        22.3850   32.3593   22.0137  H     
55   H        22.3649   30.5509   23.8851  H     
56   H        21.4071   31.9788   24.0715  H     
57   H        20.6276   29.2975   20.5099  H     
58   H        22.1464   28.4408   20.3303  H     
59   H        22.5154   30.8225   20.1272  H     
60   H        23.3813   30.1763   21.5144  H     
61   H        22.2541   28.3828   22.9329  H     
62   H        21.8874   26.3442   22.4275  H     
63   H        21.1230   24.4461   21.4229  H     
64   H        18.4882   23.9522   22.2193  H     
65   H        17.8775   24.4323   24.6992  H     
66   H        19.2431   23.9081   25.7107  H     
67   H        18.5836   22.8079   24.4911  H     
68   H        20.4400   24.1602   19.2926  H     
69   H        19.1065   23.3720   20.0827  H     
70   H        15.3822   25.9636   18.9000  H     
71   H        16.8475   24.3373   19.8584  H     
72   H        20.1668   26.4595   18.4210  H     
73   H        19.5172   29.0036   17.8884  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    7   10 1
     9    7   11 2
    10    8    9 1
    11    8   12 2
    12    8   13 1
    13    9   10 2
    14   11   12 1
    15   13   19 1
    16   14   15 1
    17   14   18 1
    18   15   19 1
    19   16   19 1
    20   16   20 2
    21   16   21 1
    22   17   18 1
    23   17   21 1
    24   21   22 1
    25   22   23 am
    26   23   24 2
    27   23   25 1
    28   25   26 1
    29   25   30 1
    30   26   27 am
    31   27   28 1
    32   27   29 2
    33   30   31 1
    34   31   33 1
    35   31   34 2
    36   32   33 2
    37   32   36 1
    38   34   35 1
    39   35   36 2
    40   35   40 1
    41   36   37 1
    42   37   38 2
    43   37   39 1
    44   40   41 2
    45    2   42 1
    46    3   43 1
    47    4   44 1
    48    5   45 1
    49    6   46 1
    50    9   47 1
    51   10   48 1
    52   11   49 1
    53   12   50 1
    54   13   51 1
    55   13   52 1
    56   14   53 1
    57   14   54 1
    58   15   55 1
    59   15   56 1
    60   17   57 1
    61   17   58 1
    62   18   59 1
    63   18   60 1
    64   21   61 1
    65   22   62 1
    66   25   63 1
    67   26   64 1
    68   28   65 1
    69   28   66 1
    70   28   67 1
    71   30   68 1
    72   30   69 1
    73   32   70 1
    74   33   71 1
    75   34   72 1
    76   40   73 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1369
  Crash		| -2.5755
  Polar		| 8.0876
  FragIndex	| 1
  FragRMSD	| 1.123