@<TRIPOS>MOLECULE
BindingDB_24125
 54 57 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        23.8428   79.6063   46.7832  C     
2    C        23.2283   80.0178   45.6007  C     
3    C        22.3365   81.1120   45.5837  C     
4    C        22.1008   81.8371   46.7949  C     
5    C        23.5980   80.2802   47.9961  C     
6    C        22.7625   81.4365   48.0000  C     
7    C        24.1906   79.7029   49.2525  C     
8    C        22.5787   82.1645   49.3001  C     
9    C        23.4415   80.2306   50.5082  C     
10   N        23.3441   81.6666   50.4316  N     
11   C        21.1295   82.9783   46.7692  C     
12   C        21.6782   81.3790   44.2710  C     
13   C        25.6837   79.8209   49.3887  C     
14   C        28.5137   79.8955   49.6883  C     
15   C        27.8701   80.8041   48.8296  C     
16   C        26.4685   80.7765   48.6945  C     
17   C        26.3598   78.9144   50.2543  C     
18   C        27.7552   78.9536   50.4073  C     
19   C        23.6289   82.4507   51.4853  C     
20   O        23.4864   81.9537   52.6027  O     
21   C        23.4228   85.9879   52.0719  C     
22   C        23.9688   84.6284   52.5620  C     
23   C        24.9795   84.1562   50.3702  C     
24   C        24.5646   85.5429   49.8195  C     
25   N        24.1014   83.7073   51.4366  N     
26   C        24.3397   86.5679   50.9733  C     
27   H        24.4520   78.7802   46.7633  H     
28   H        23.4187   79.4864   44.7458  H     
29   H        23.9671   78.6297   49.2184  H     
30   H        22.7801   83.2169   49.1242  H     
31   H        21.5274   82.0810   49.5812  H     
32   H        22.4298   79.8141   50.5315  H     
33   H        23.9513   79.8731   51.4082  H     
34   H        21.4893   83.7551   46.0899  H     
35   H        20.9567   83.4602   47.7287  H     
36   H        20.1554   82.6171   46.4259  H     
37   H        22.4329   81.4754   43.4889  H     
38   H        21.0785   82.2862   44.2521  H     
39   H        21.0240   80.5406   44.0185  H     
40   H        29.5295   79.9129   49.7960  H     
41   H        28.4217   81.4902   48.3116  H     
42   H        26.0290   81.4557   48.0709  H     
43   H        25.8315   78.2074   50.7737  H     
44   H        28.2208   78.2971   51.0389  H     
45   H        22.4123   85.8516   51.6731  H     
46   H        23.3683   86.6942   52.9051  H     
47   H        24.9435   84.7744   53.0361  H     
48   H        23.2816   84.2663   53.3289  H     
49   H        25.0695   83.4424   49.5439  H     
50   H        25.9862   84.2449   50.7854  H     
51   H        25.3483   85.8984   49.1471  H     
52   H        23.6457   85.4492   49.2432  H     
53   H        23.8839   87.4858   50.5933  H     
54   H        25.3029   86.8272   51.4218  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    3    4 2
     5    3   12 1
     6    4    6 1
     7    4   11 1
     8    5    6 2
     9    5    7 1
    10    6    8 1
    11    7    9 1
    12    7   13 1
    13    8   10 1
    14    9   10 1
    15   10   19 am
    16   13   16 2
    17   13   17 1
    18   14   15 2
    19   14   18 1
    20   15   16 1
    21   17   18 2
    22   19   20 2
    23   19   25 am
    24   21   22 1
    25   21   26 1
    26   22   25 1
    27   23   24 1
    28   23   25 1
    29   24   26 1
    30    1   27 1
    31    2   28 1
    32    7   29 1
    33    8   30 1
    34    8   31 1
    35    9   32 1
    36    9   33 1
    37   11   34 1
    38   11   35 1
    39   11   36 1
    40   12   37 1
    41   12   38 1
    42   12   39 1
    43   14   40 1
    44   15   41 1
    45   16   42 1
    46   17   43 1
    47   18   44 1
    48   21   45 1
    49   21   46 1
    50   22   47 1
    51   22   48 1
    52   23   49 1
    53   23   50 1
    54   24   51 1
    55   24   52 1
    56   26   53 1
    57   26   54 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.6352
  Crash		| -2.2613
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 0.688