@<TRIPOS>MOLECULE
BindingDB_14789
 40 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        42.4652    1.2301   64.7992  C     
2    C        43.6763    1.5845   64.2019  C     
3    C        43.3173    2.3816   63.1038  C     
4    N        41.4787    1.7774   64.0784  N     
5    N        41.9593    2.4514   63.0776  N     
6    C        42.2095    0.4295   66.0101  C     
7    C        44.2635    3.0967   62.2162  C     
8    C        44.9758    1.2644   64.6676  C     
9    O        45.1507    0.6046   65.8359  O     
10   O        46.0687    1.7025   63.9894  O     
11   C        47.4568    1.5707   64.3082  C     
12   C        48.2957    2.4807   63.3947  C     
13   C        41.1131    3.0720   62.1873  C     
14   C        41.3873    3.0843   60.8046  C     
15   C        40.5141    3.6871   59.8714  C     
16   C        39.2992    4.2316   60.3487  C     
17   C        39.8942    3.6428   62.6238  C     
18   C        38.9729    4.2273   61.7224  C     
19   C        37.6877    4.8355   62.1726  C     
20   F        37.4743    4.7830   63.5271  F     
21   F        37.6444    6.1634   61.8212  F     
22   F        36.6287    4.1939   61.5808  F     
23   C        40.8355    3.7579   58.4199  C     
24   F        39.8963    3.0542   57.6994  F     
25   F        40.8124    5.0677   58.0080  F     
26   F        42.0764    3.2587   58.0788  F     
27   H        42.5578   -0.5899   65.8591  H     
28   H        41.1454    0.4037   66.2404  H     
29   H        42.7280    0.8652   66.8606  H     
30   H        44.9567    3.6895   62.8097  H     
31   H        43.7560    3.7794   61.5407  H     
32   H        44.8260    2.3798   61.6248  H     
33   H        47.5925    1.8849   65.3415  H     
34   H        47.7968    0.5394   64.2093  H     
35   H        48.2381    2.1187   62.3663  H     
36   H        49.3386    2.4724   63.7176  H     
37   H        47.9257    3.5079   63.4338  H     
38   H        42.2339    2.6239   60.4737  H     
39   H        38.6474    4.6557   59.6822  H     
40   H        39.6856    3.6383   63.6239  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 2
     3    1    6 1
     4    2    3 2
     5    2    8 1
     6    3    5 1
     7    3    7 1
     8    4    5 1
     9    5   13 1
    10    8    9 2
    11    8   10 1
    12   10   11 1
    13   11   12 1
    14   13   14 2
    15   13   17 1
    16   14   15 1
    17   15   16 2
    18   15   23 1
    19   16   18 1
    20   17   18 2
    21   18   19 1
    22   19   20 1
    23   19   21 1
    24   19   22 1
    25   23   24 1
    26   23   25 1
    27   23   26 1
    28    6   27 1
    29    6   28 1
    30    6   29 1
    31    7   30 1
    32    7   31 1
    33    7   32 1
    34   11   33 1
    35   11   34 1
    36   12   35 1
    37   12   36 1
    38   12   37 1
    39   14   38 1
    40   16   39 1
    41   17   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1562
  Crash		| -0.8392
  Polar		| 0.9983
  FragIndex	| 1
  FragRMSD	| 0.163