@<TRIPOS>MOLECULE
BindingDB_50032981
 17 16 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    P        13.5601   15.6071   58.7598  P     
2    O        12.8718   16.6988   59.3972  O     
3    O        14.9434   16.1391   58.3475  O     
4    O        12.8186   15.2355   57.4581  O     
5    C        13.8377   14.3061   59.7597  C     
6    N        15.2395   11.4939   58.8121  N     
7    C        13.2496   12.9572   59.2617  C     
8    C        14.0933   11.7359   59.7024  C     
9    H        14.9206   14.2008   59.8552  H     
10   H        13.4399   14.5371   60.7513  H     
11   H        14.8980   11.2395   57.8817  H     
12   H        15.7999   10.7239   59.1835  H     
13   H        15.8257   12.3314   58.7325  H     
14   H        12.2309   12.8444   59.6479  H     
15   H        13.1993   12.9454   58.1701  H     
16   H        13.4646   10.8427   59.6892  H     
17   H        14.4583   11.8800   60.7209  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    4 1
     4    1    5 1
     5    5    7 1
     6    6    8 1
     7    7    8 1
     8    5    9 1
     9    5   10 1
    10    6   11 1
    11    6   12 1
    12    6   13 1
    13    7   14 1
    14    7   15 1
    15    8   16 1
    16    8   17 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.5945
  Crash		| -0.2255
  Polar		| 7.2610
  FragIndex	| 1
  FragRMSD	| 0.449

@<TRIPOS>MOLECULE
BindingDB_50153713
 19 18 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.5488   10.0281   59.1203  C     
2    N        15.1929   10.9774   59.9779  N     
3    C        13.9934   11.7575   59.8446  C     
4    C        14.2918   13.1191   59.1657  C     
5    C        13.2430   14.2062   59.5174  C     
6    O        16.6004    9.4142   59.2340  O     
7    O        15.9918   11.2730   60.9758  O     
8    P        13.4480   15.6266   58.6757  P     
9    O        14.9276   16.0312   58.5427  O     
10   O        12.8664   15.5088   57.2545  O     
11   O        12.7644   16.6950   59.3571  O     
12   H        14.9715    9.8045   58.3432  H     
13   H        13.2291   11.2304   59.2653  H     
14   H        13.5770   11.9206   60.8421  H     
15   H        15.2781   13.4687   59.4878  H     
16   H        14.3249   12.9632   58.0836  H     
17   H        12.2383   13.8289   59.3099  H     
18   H        13.3078   14.4266   60.5863  H     
19   H        15.5393   10.9215   61.7742  H     
@<TRIPOS>BOND
     1    1    2 am
     2    1    6 2
     3    2    3 1
     4    2    7 1
     5    3    4 1
     6    4    5 1
     7    5    8 1
     8    8    9 1
     9    8   10 1
    10    8   11 2
    11    1   12 1
    12    3   13 1
    13    3   14 1
    14    4   15 1
    15    4   16 1
    16    5   17 1
    17    5   18 1
    18    7   19 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.7037
  Crash		| -0.2091
  Polar		| 8.7681
  FragIndex	| 1
  FragRMSD	| 0.756

@<TRIPOS>MOLECULE
BindingDB_50181153
 22 21 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.4537   10.3422   60.0533  C     
2    N        15.2792   11.6114   59.6593  N     
3    C        14.2180   12.0915   58.8098  C     
4    C        13.1926   12.9733   59.5754  C     
5    C        13.6587   14.3946   59.9979  C     
6    O        16.3229   10.0930   60.8808  O     
7    O        16.0627   12.5457   60.1492  O     
8    P        13.5546   15.5769   58.8247  P     
9    O        14.9339   16.0889   58.3723  O     
10   O        12.7823   15.1347   57.5655  O     
11   O        12.8476   16.7117   59.3594  O     
12   C        14.6038    9.2295   59.6609  C     
13   H        14.6399   12.6562   57.9758  H     
14   H        13.6815   11.2593   58.3502  H     
15   H        12.3023   13.0800   58.9553  H     
16   H        12.8788   12.4352   60.4743  H     
17   H        13.0215   14.7061   60.8297  H     
18   H        14.6816   14.3593   60.3754  H     
19   H        16.7493   12.7183   59.4712  H     
20   H        13.5688    9.4372   59.9353  H     
21   H        14.9004    8.2954   60.1457  H     
22   H        14.6666    9.0801   58.5824  H     
@<TRIPOS>BOND
     1    1    2 am
     2    1    6 2
     3    1   12 1
     4    2    3 1
     5    2    7 1
     6    3    4 1
     7    4    5 1
     8    5    8 1
     9    8    9 1
    10    8   10 1
    11    8   11 2
    12    3   13 1
    13    3   14 1
    14    4   15 1
    15    4   16 1
    16    5   17 1
    17    5   18 1
    18    7   19 1
    19   12   20 1
    20   12   21 1
    21   12   22 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8093
  Crash		| -0.8742
  Polar		| 8.9254
  FragIndex	| 1
  FragRMSD	| 0.629

@<TRIPOS>MOLECULE
BindingDB_50185359
 23 23 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.0968   14.3928   59.5507  C     
2    C        13.1478   13.1789   59.6119  C     
3    C        13.4156   14.0069   60.8809  C     
4    P        13.6215   15.7169   58.6702  P     
5    O        12.8835   16.7102   59.4069  O     
6    O        14.9333   16.3725   58.2027  O     
7    O        12.8408   15.3039   57.4047  O     
8    C        13.7153   11.7570   59.3404  C     
9    N        15.0546   11.3264   59.6995  N     
10   O        15.9193   12.1811   60.1859  O     
11   C        15.4451   10.0524   59.5666  C     
12   O        14.7056    9.2243   59.0497  O     
13   C        16.7313    9.5659   60.0279  C     
14   H        15.1557   14.1516   59.4844  H     
15   H        12.1451   13.3523   59.2052  H     
16   H        14.0466   13.5458   61.6396  H     
17   H        12.5728   14.6190   61.2131  H     
18   H        13.0121   11.0778   59.8319  H     
19   H        13.6086   11.6088   58.2627  H     
20   H        16.5228   12.3914   59.4358  H     
21   H        17.5252   10.0714   59.4765  H     
22   H        16.8369    8.4871   59.8832  H     
23   H        16.8436    9.7745   61.0935  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1    4 1
     4    2    3 1
     5    2    8 1
     6    4    5 2
     7    4    6 1
     8    4    7 1
     9    8    9 1
    10    9   10 1
    11    9   11 am
    12   11   12 2
    13   11   13 1
    14    1   14 1
    15    2   15 1
    16    3   16 1
    17    3   17 1
    18    8   18 1
    19    8   19 1
    20   10   20 1
    21   13   21 1
    22   13   22 1
    23   13   23 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8809
  Crash		| -1.4957
  Polar		| 7.4808
  FragIndex	| 1
  FragRMSD	| 0.777

@<TRIPOS>MOLECULE
BindingDB_50185361
 23 23 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.2274   14.2290   59.3872  C     
2    C        14.4267   13.3034   59.7248  C     
3    C        13.6854   14.0474   60.8526  C     
4    P        13.4862   15.6948   58.6478  P     
5    O        12.7844   16.7270   59.3726  O     
6    O        14.9813   16.0803   58.5566  O     
7    O        12.9161   15.6299   57.2239  O     
8    C        14.2234   11.7868   59.5282  C     
9    N        15.3083   10.9945   60.0655  N     
10   O        15.9488   11.4677   61.1110  O     
11   C        15.6002    9.7608   59.6385  C     
12   O        15.0694    9.3080   58.6293  O     
13   C        16.4890    8.8701   60.3626  C     
14   H        12.2795   13.7215   59.1630  H     
15   H        15.4215   13.7091   59.5087  H     
16   H        14.2381   14.8771   61.3150  H     
17   H        13.0351   13.4358   61.4764  H     
18   H        13.3009   11.4547   60.0089  H     
19   H        14.1005   11.6328   58.4489  H     
20   H        15.2418   11.5740   61.8070  H     
21   H        17.4775    9.3188   60.4649  H     
22   H        16.6058    7.9047   59.8565  H     
23   H        16.0884    8.6787   61.3615  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1    4 1
     4    2    3 1
     5    2    8 1
     6    4    5 2
     7    4    6 1
     8    4    7 1
     9    8    9 1
    10    9   10 1
    11    9   11 am
    12   11   12 2
    13   11   13 1
    14    1   14 1
    15    2   15 1
    16    3   16 1
    17    3   17 1
    18    8   18 1
    19    8   19 1
    20   10   20 1
    21   13   21 1
    22   13   22 1
    23   13   23 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4589
  Crash		| -0.8767
  Polar		| 7.6142
  FragIndex	| 1
  FragRMSD	| 0.949

@<TRIPOS>MOLECULE
BindingDB_50185363
 20 20 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.7420   14.3766   59.7069  C     
2    C        14.4539   13.1039   59.1965  C     
3    C        15.1490   14.0093   60.2386  C     
4    P        13.5917   15.6620   58.6615  P     
5    O        14.8522   16.2524   58.2726  O     
6    O        12.7805   15.2571   57.4098  O     
7    O        12.7896   16.7559   59.3831  O     
8    C        14.0145   11.6996   59.6683  C     
9    N        15.1793   10.8872   59.8888  N     
10   O        15.9788   11.1977   60.8909  O     
11   C        15.5153    9.8704   59.1060  C     
12   O        16.5516    9.2335   59.2696  O     
13   H        12.9144   14.1866   60.3895  H     
14   H        14.8898   13.1607   58.1922  H     
15   H        16.0212   14.5644   59.8627  H     
16   H        15.1669   13.6445   61.2696  H     
17   H        13.4268   11.7500   60.5951  H     
18   H        13.3574   11.2895   58.8989  H     
19   H        15.4344   11.1113   61.7057  H     
20   H        14.9385    9.6159   58.3340  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1    4 1
     4    2    3 1
     5    2    8 1
     6    4    5 2
     7    4    6 1
     8    4    7 1
     9    8    9 1
    10    9   10 1
    11    9   11 am
    12   11   12 2
    13    1   13 1
    14    2   14 1
    15    3   15 1
    16    3   16 1
    17    8   17 1
    18    8   18 1
    19   10   19 1
    20   11   20 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.8193
  Crash		| -0.4396
  Polar		| 8.6463
  FragIndex	| 1
  FragRMSD	| 1.246