@<TRIPOS>MOLECULE
BindingDB_50017081
 57 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        37.9711   57.3423   46.7868  C     
2    N        37.3112   56.6820   47.7696  N     
3    N        37.4696   58.5302   46.3534  N     
4    C        36.1742   57.1524   48.3453  C     
5    C        35.6316   58.3844   47.9090  C     
6    C        39.2078   56.7689   46.2130  C     
7    C        36.3328   59.0656   46.8778  C     
8    C        32.6853   61.1179   54.6969  C     
9    N        33.4565   62.1168   55.1101  N     
10   C        34.5079   61.5913   57.2373  C     
11   N        31.8037   59.9064   49.1729  N     
12   C        29.8448   59.3439   47.9054  C     
13   C        33.6700   62.5517   56.4763  C     
14   C        28.9926   59.7259   47.1615  C     
15   C        34.4294   58.9387   48.3766  C     
16   C        32.5131   60.8242   53.3326  C     
17   C        32.5904   65.8702   56.5394  C     
18   O        35.6010   56.4017   49.3178  O     
19   C        32.0570   60.1967   50.5160  C     
20   C        32.5594   60.5591   48.0968  C     
21   O        32.1200   60.4326   55.5410  O     
22   C        33.9350   60.0927   47.8585  C     
23   C        35.8318   60.2718   46.4005  C     
24   O        35.5421   62.0277   58.0058  O     
25   O        32.2958   67.1428   56.1676  O     
26   F        39.7491   57.5631   45.2328  F     
27   F        40.1513   56.6147   47.1965  F     
28   F        38.9481   55.5388   45.6625  F     
29   C        32.9073   61.7083   52.3041  C     
30   C        31.9242   59.6016   52.9275  C     
31   C        32.6942   61.3994   50.9474  C     
32   C        31.7203   59.2966   51.5680  C     
33   C        34.3041   63.9801   56.4719  C     
34   C        33.4863   65.0622   55.6962  C     
35   C        30.8323   58.8852   48.7388  C     
36   O        34.2424   60.2609   57.2645  O     
37   C        34.6817   60.7646   46.9003  C     
38   O        31.7562   65.2909   57.4349  O     
39   H        33.9298   62.6311   54.4366  H     
40   H        32.7045   62.6077   56.9863  H     
41   H        28.3312   60.0165   46.5882  H     
42   H        33.9130   58.4274   49.0536  H     
43   H        36.3225   55.8025   49.6098  H     
44   H        32.0635   60.4186   47.1266  H     
45   H        32.5413   61.6413   48.2504  H     
46   H        36.3164   60.7601   45.6820  H     
47   H        33.3284   62.6175   52.5318  H     
48   H        31.6460   58.9039   53.6212  H     
49   H        33.0014   62.0958   50.2711  H     
50   H        31.3660   58.3638   51.3696  H     
51   H        34.4440   64.3256   57.5033  H     
52   H        35.2974   63.9082   56.0193  H     
53   H        32.8867   64.5970   54.9081  H     
54   H        34.1990   65.7320   55.2026  H     
55   H        31.3818   58.0972   48.2067  H     
56   H        30.2867   58.4158   49.5585  H     
57   H        34.3641   61.6382   46.5477  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    6 1
     4    2    4 1
     5    3    7 2
     6    4    5 2
     7    4   18 1
     8    5    7 1
     9    5   15 1
    10    6   26 1
    11    6   27 1
    12    6   28 1
    13    7   23 1
    14    8    9 am
    15    8   16 1
    16    8   21 2
    17    9   13 1
    18   10   13 1
    19   10   24 2
    20   10   36 1
    21   11   19 1
    22   11   20 1
    23   11   35 1
    24   12   14 3
    25   12   35 1
    26   13   33 1
    27   15   22 2
    28   16   29 2
    29   16   30 1
    30   17   25 2
    31   17   34 1
    32   17   38 1
    33   19   31 2
    34   19   32 1
    35   20   22 1
    36   22   37 1
    37   23   37 2
    38   29   31 1
    39   30   32 2
    40   33   34 1
    41    9   39 1
    42   13   40 1
    43   14   41 1
    44   15   42 1
    45   18   43 1
    46   20   44 1
    47   20   45 1
    48   23   46 1
    49   29   47 1
    50   30   48 1
    51   31   49 1
    52   32   50 1
    53   33   51 1
    54   33   52 1
    55   34   53 1
    56   34   54 1
    57   35   55 1
    58   35   56 1
    59   37   57 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.6579
  Crash		| -1.1030
  Polar		| 1.5432
  FragIndex	| 1
  FragRMSD	| 1.096