@<TRIPOS>MOLECULE
BindingDB_15678
 46 48 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.5448   32.9020   59.0306  C     
2    C         7.0429   34.4940   59.6441  C     
3    C         8.2806   35.1256   59.9967  C     
4    N         7.1614   33.2587   59.1569  N     
5    C         6.0294   32.3740   58.8713  C     
6    C         6.6254   29.8756   59.4985  C     
7    C         6.3401   29.4558   58.0337  C     
8    C         6.6927   30.5961   57.0505  C     
9    C         5.9208   31.9012   57.3845  C     
10   C         5.8940   31.1900   59.8867  C     
11   O         5.9859   35.0609   59.8860  O     
12   C         9.3310   34.2101   59.3298  C     
13   C        10.5677   34.0500   60.1015  C     
14   O        11.5815   34.5759   59.6512  O     
15   N        10.5969   33.2965   61.1937  N     
16   C        11.6635   32.9457   61.9830  C     
17   C        13.7748   32.0275   63.6395  C     
18   C        13.9216   33.2589   62.9531  C     
19   C        12.8528   33.6997   62.1318  C     
20   C        11.5506   31.7326   62.7034  C     
21   C        12.6001   31.2726   63.5106  C     
22   Br       12.4646   29.6345   64.3875  Br    
23   C        15.1812   34.0337   63.1205  C     
24   F        15.2677   35.1314   62.2973  F     
25   F        15.2768   34.4736   64.4183  F     
26   F        16.2800   33.2583   62.8388  F     
27   H         8.7984   32.1011   59.7198  H     
28   H         8.7617   32.5869   58.0060  H     
29   H         8.3424   36.1379   59.5933  H     
30   H         8.3698   35.1591   61.0859  H     
31   H         5.1133   32.9620   59.0191  H     
32   H         6.2784   29.0711   60.1642  H     
33   H         7.6943   29.9803   59.6426  H     
34   H         6.9423   28.5739   57.7880  H     
35   H         5.2798   29.1857   57.9214  H     
36   H         7.7686   30.7708   57.0823  H     
37   H         6.4404   30.2813   56.0312  H     
38   H         4.8625   31.7251   57.1545  H     
39   H         6.2663   32.7023   56.7232  H     
40   H         6.2446   31.5101   60.8744  H     
41   H         4.8250   30.9514   59.9906  H     
42   H         9.5689   34.6593   58.3515  H     
43   H         9.7644   32.8437   61.4049  H     
44   H        14.5253   31.6863   64.2417  H     
45   H        12.9269   34.6063   61.6678  H     
46   H        10.6986   31.1696   62.6260  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   19 2
    19   16   20 1
    20   17   18 2
    21   17   21 1
    22   18   19 1
    23   18   23 1
    24   20   21 2
    25   21   22 1
    26   23   24 1
    27   23   25 1
    28   23   26 1
    29    1   27 1
    30    1   28 1
    31    3   29 1
    32    3   30 1
    33    5   31 1
    34    6   32 1
    35    6   33 1
    36    7   34 1
    37    7   35 1
    38    8   36 1
    39    8   37 1
    40    9   38 1
    41    9   39 1
    42   10   40 1
    43   10   41 1
    44   12   42 1
    45   15   43 1
    46   17   44 1
    47   19   45 1
    48   20   46 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.6766
  Crash		| -1.8075
  Polar		| 0.0015
  FragIndex	| 1
  FragRMSD	| 1.436