@<TRIPOS>MOLECULE
BindingDB_14777
 48 53 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.9200   40.1500  104.0513  C     
2    C        18.4236   37.8794  102.2329  C     
3    C        17.8638   41.5392  103.4993  C     
4    C        18.2586   41.8337  102.1588  C     
5    C        17.3568   42.6045  104.2958  C     
6    C        17.2662   43.9193  103.7965  C     
7    C        17.6941   44.1839  102.4812  C     
8    C        18.1913   43.1561  101.6814  C     
9    C        18.5546   45.0601  100.7303  C     
10   O        18.5758   43.6380  100.4741  O     
11   O        17.6946   45.3704  101.8472  O     
12   C        15.5485   39.6627  103.6593  C     
13   C        14.4567   38.8224  103.1907  C     
14   C        16.0620   37.1177  102.5873  C     
15   N        16.8391   39.2828  103.5501  N     
16   N        14.7980   37.5537  102.5865  N     
17   C        13.6928   36.7818  102.0455  C     
18   O        16.3243   35.9711  102.2259  O     
19   O        15.2339   40.7463  104.1509  O     
20   C        19.2912   39.6512  103.7801  C     
21   C        19.5168   38.5884  102.9085  C     
22   C        21.4624   39.3958  103.6270  C     
23   C        20.8893   38.4425  102.7852  C     
24   C        23.6710   38.7315  102.8826  C     
25   C        22.8588   39.5402  103.7102  C     
26   C        21.6866   37.6006  101.9948  C     
27   C        23.0872   37.7619  102.0358  C     
28   N        20.4816   40.0798  104.2449  N     
29   C        17.1572   37.9127  103.1469  C     
30   H        17.8128   40.1737  105.1423  H     
31   H        18.2100   38.3728  101.2845  H     
32   H        18.7374   36.8485  102.0444  H     
33   H        18.6087   41.1003  101.5481  H     
34   H        17.0347   42.4161  105.2440  H     
35   H        16.9014   44.6859  104.3776  H     
36   H        19.5719   45.3970  100.9653  H     
37   H        18.2199   45.5992   99.8416  H     
38   H        13.8060   38.6265  104.0515  H     
39   H        13.8848   39.4167  102.4672  H     
40   H        12.9804   36.5531  102.8422  H     
41   H        13.9938   35.8388  101.5915  H     
42   H        13.1767   37.3609  101.2748  H     
43   H        24.6840   38.8575  102.8800  H     
44   H        23.2770   40.2466  104.3183  H     
45   H        21.2608   36.9085  101.3776  H     
46   H        23.6799   37.1900  101.4264  H     
47   H        20.6031   40.8010  104.8797  H     
48   H        17.4166   37.4004  104.0775  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1   15 1
     3    1   20 1
     4    2   21 1
     5    2   29 1
     6    3    4 1
     7    3    5 2
     8    4    8 2
     9    5    6 1
    10    6    7 2
    11    7    8 1
    12    7   11 1
    13    8   10 1
    14    9   10 1
    15    9   11 1
    16   12   13 1
    17   12   15 1
    18   12   19 2
    19   13   16 1
    20   14   16 1
    21   14   18 2
    22   14   29 1
    23   15   29 1
    24   16   17 1
    25   20   21 2
    26   20   28 1
    27   21   23 1
    28   22   23 2
    29   22   25 1
    30   22   28 1
    31   23   26 1
    32   24   25 2
    33   24   27 1
    34   26   27 2
    35    1   30 1
    36    2   31 1
    37    2   32 1
    38    4   33 1
    39    5   34 1
    40    6   35 1
    41    9   36 1
    42    9   37 1
    43   13   38 1
    44   13   39 1
    45   17   40 1
    46   17   41 1
    47   17   42 1
    48   24   43 1
    49   25   44 1
    50   26   45 1
    51   27   46 1
    52   28   47 1
    53   29   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.5671
  Crash		| -1.3312
  Polar		| 0.9706
  FragIndex	| 1
  FragRMSD	| 0.136