@<TRIPOS>MOLECULE
BindingDB_15647
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.7347   32.5735   59.3469  C     
2    C         7.3452   34.1880   60.1085  C     
3    C         8.6095   34.8487   60.1742  C     
4    N         7.3962   32.9150   59.7169  N     
5    C         6.2282   32.0375   59.6688  C     
6    C         6.9319   29.7576   58.5695  C     
7    C         6.0053   30.0620   57.3663  C     
8    C         5.8409   31.5831   57.1423  C     
9    C         5.3319   32.3000   58.4178  C     
10   C         6.4709   30.5007   59.8492  C     
11   O         6.3160   34.7878   60.3909  O     
12   C         9.6254   33.7132   59.9118  C     
13   C        10.3881   33.3230   61.1045  C     
14   O         9.8349   32.6558   61.9724  O     
15   N        11.6425   33.7324   61.2497  N     
16   C        12.5531   33.3415   62.1940  C     
17   C        14.5235   33.9076   63.5543  C     
18   C        13.5357   34.2802   62.6236  C     
19   C        12.6518   32.0132   62.6705  C     
20   C        13.6567   31.6303   63.5760  C     
21   C        14.5902   32.5865   64.0315  C     
22   H         9.0421   31.6022   59.7374  H     
23   H         8.8111   32.5322   58.2560  H     
24   H         8.6625   35.6183   59.4005  H     
25   H         8.7491   35.3259   61.1492  H     
26   H         5.6175   32.3098   60.5388  H     
27   H         6.9238   28.6824   58.7634  H     
28   H         7.9596   30.0319   58.3176  H     
29   H         6.4235   29.6061   56.4683  H     
30   H         5.0233   29.6146   57.5482  H     
31   H         6.7948   32.0187   56.8360  H     
32   H         5.1248   31.7546   56.3328  H     
33   H         4.3138   31.9450   58.6261  H     
34   H         5.2551   33.3749   58.2230  H     
35   H         7.1891   30.3319   60.6562  H     
36   H         5.5264   30.0427   60.1645  H     
37   H        10.3246   34.0407   59.1274  H     
38   H        11.9477   34.3994   60.6132  H     
39   H        15.2075   34.5972   63.8930  H     
40   H        13.5081   35.2463   62.2887  H     
41   H        11.9992   31.2980   62.3365  H     
42   H        13.7109   30.6616   63.9090  H     
43   H        15.3136   32.3115   64.6991  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   12 1
     3    2    3 1
     4    2    4 1
     5    2   11 2
     6    3   12 1
     7    4    5 1
     8    5    9 1
     9    5   10 1
    10    6    7 1
    11    6   10 1
    12    7    8 1
    13    8    9 1
    14   12   13 1
    15   13   14 2
    16   13   15 am
    17   15   16 1
    18   16   18 1
    19   16   19 2
    20   17   18 2
    21   17   21 1
    22   19   20 1
    23   20   21 2
    24    1   22 1
    25    1   23 1
    26    3   24 1
    27    3   25 1
    28    5   26 1
    29    6   27 1
    30    6   28 1
    31    7   29 1
    32    7   30 1
    33    8   31 1
    34    8   32 1
    35    9   33 1
    36    9   34 1
    37   10   35 1
    38   10   36 1
    39   12   37 1
    40   15   38 1
    41   17   39 1
    42   18   40 1
    43   19   41 1
    44   20   42 1
    45   21   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.4567
  Crash		| -0.7227
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 1.472