@<TRIPOS>MOLECULE
BindingDB_15656
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.8245   32.5071   59.2702  C     
2    C         7.0941   33.9275   59.6197  C     
3    C         8.2229   34.8301   59.5238  C     
4    N         7.4215   32.6411   59.5225  N     
5    C         6.5989   31.4589   59.8177  C     
6    C         6.1843   30.5534   57.4419  C     
7    C         4.6699   30.8696   57.5559  C     
8    C         4.3760   31.9712   58.6046  C     
9    C         5.0544   31.6798   59.9726  C     
10   C         6.8013   30.2634   58.8305  C     
11   O         5.9667   34.3732   59.7823  O     
12   C         9.4738   33.9092   59.4506  C     
13   C        10.4658   34.0811   60.5108  C     
14   O        10.7476   35.2439   60.8170  O     
15   N        11.1208   33.0829   61.1187  N     
16   C        12.2033   33.1551   61.9534  C     
17   C        13.2806   32.3729   64.0147  C     
18   C        12.1838   32.3630   63.1327  C     
19   C        13.3671   33.8896   61.6542  C     
20   C        14.4642   33.9008   62.5393  C     
21   C        14.4045   33.1659   63.7350  C     
22   I        15.9564   33.2928   65.0756  I     
23   H         9.2408   31.7518   59.9284  H     
24   H         8.9617   32.1752   58.2397  H     
25   H         8.1237   35.4319   58.6157  H     
26   H         8.2430   35.4975   60.3903  H     
27   H         6.9538   31.1196   60.7964  H     
28   H         6.3235   29.6843   56.7923  H     
29   H         6.7031   31.3985   56.9808  H     
30   H         4.3008   31.1953   56.5808  H     
31   H         4.1325   29.9591   57.8330  H     
32   H         4.7371   32.9191   58.2141  H     
33   H         3.2975   32.0610   58.7437  H     
34   H         4.6055   30.7641   60.3860  H     
35   H         4.8661   32.4933   60.6828  H     
36   H         7.8586   30.0215   58.7166  H     
37   H         6.3302   29.3695   59.2470  H     
38   H        10.0071   34.1519   58.5231  H     
39   H        10.8162   32.1797   60.9354  H     
40   H        13.2492   31.8079   64.8646  H     
41   H        11.3765   31.7748   63.3308  H     
42   H        13.4499   34.4042   60.7722  H     
43   H        15.2980   34.4433   62.3160  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   21   22 1
    25    1   23 1
    26    1   24 1
    27    3   25 1
    28    3   26 1
    29    5   27 1
    30    6   28 1
    31    6   29 1
    32    7   30 1
    33    7   31 1
    34    8   32 1
    35    8   33 1
    36    9   34 1
    37    9   35 1
    38   10   36 1
    39   10   37 1
    40   12   38 1
    41   15   39 1
    42   17   40 1
    43   18   41 1
    44   19   42 1
    45   20   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.2393
  Crash		| -1.4618
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 1.406