
// 131. pterin-related C16H23N5O8 Negative
412.141 10360.2
218.063 2394.61
162.037 2181.43
413.141 920.141
412.286 532.797
191.042 398.64
413.198 263.165
119.03 259.431
412.431 258.942
175.059 247.232
412.569 199.592
218.183 166.207
218.14 163.2
413.265 159.004
412.705 138.292
59.008 136.75
162.136 128.875
236.071 123.594
192.051 123.44
176.042 119.792
218.335 117.973
413.382 113.222
412.983 112.565
413.432 111.898
412.643 108.053
412.839 106.796
115.031 104.015
219.07 100.5
218.226 99.5208
412.931 96.1364
413.032 95.0363
413.917 92.0016
412.776 83.4
414.275 81.875
414.211 68.0592
218.268 66.2841
163.049 64.625
415.568 62.258
413.815 59.8514
74.3509 59.0089
159.026 56.3125
162.347 56.2321
413.573 56.0592
413.753 54.
162.198 53.5417
415.06 52.0845
218.502 52.0417
162.557 51.7824
400.477 51.4583
607.854 50.5
89.023 50.3333
65.0106 50.3077
644.943 49.05
413.867 47.7788
115.061 47.5294
379.148 47.087
219.146 46.1856
162.226 46.
422.176 45.0947
218.609 45.0833
921.92 45.0274
90.2871 44.0727
381.314 44.0526
97.3161 43.5625
414.039 43.4167
415.18 43.3472
415.71 42.805
175.116 42.6402
321.414 42.5156
179.541 42.0526
163.127 41.6576
1016.63 41.5417
766.003 41.3676
417.692 41.3068
304.061 41.1607
162.62 40.5294
455.579 40.3689
1129.48 40.1731
111.592 40.0588
420.411 40.0208
222.702 39.8935
463.106 39.7206
546.115 39.6713
218.638 39.0038
65.9961 38.8929
1483.93 38.7824
618.604 38.3393
414.856 38.2667
414.548 38.1324
414.483 38.0625
591.644 37.7782
1459.65 37.605
294.381 37.3967
263.181 37.3266
745.895 37.1653
159.56 36.9412
432.456 36.4706
816.154 36.1856
340.319 36.0714
1657.59 36.0625
145.347 36.0556
187.749 35.8935
85.8377 35.556
118.013 35.338
420.012 35.15
249.081 35.0588
1351.41 35.0192
218.877 34.9698
788.213 34.9185
1060.87 34.625
290.726 34.5714
419.039 34.4167
362.493 34.2917
156.205 34.25
1172.63 34.1429
786.455 34.0833
1494.34 34.075
415.96 34.0388
381.828 34.
443.722 33.5602
1003.13 33.2802
305.303 33.2727
218.443 33.2663
757.137 33.2269
512.808 33.075
290.634 33.0714
119.691 33.0489
1431.64 33.006
1536.51 33.0046
357.197 32.845
205.472 32.7202
43.8539 32.4808
849.067 32.2228
204.722 32.1406
1094.81 32.1324
467.106 31.9698
1438.13 31.7656
60.281 31.75
40.0094 31.556
415.485 31.5313
64.0672 31.4821
212.425 31.3636
87.7509 31.3603
68.3495 31.3393
119.083 31.3333
1610.15 31.245
161.981 31.225
1335.5 31.205
294.043 31.1157
162.282 31.1118
1297.83 31.0947
42.2498 31.0947
275.799 31.0667
1227.08 31.0592
417.037 31.025
1655.57 31.0208
78.694 31.0156
430.039 31.005
1404.52 31.
673.476 30.8167
779.59 30.7824
78.2076 30.7824
550.451 30.7778
418.699 30.7656
846.631 30.7202
148.106 30.4545
755.795 30.3636
1109.62 30.3266
142.603 30.2917
1100.21 30.25
1545.57 30.225
1142.86 30.2112
416.381 30.2112
1050.38 30.1731
54.7587 30.125
521.3 30.1111
115.098 30.0592
1123.48 30.0227
1292.57 30.006
649.53 30.006
115.961 30.005
977.757 29.9073
1310.33 29.7824
182.173 29.7813
1330.74 29.6576
955.57 29.5707
192.144 29.5682
165.142 29.5602
1434.46 29.5577
868.178 29.4821
194.037 29.4821
235.022 29.445
240.701 29.3333
470.906 29.3224
1081.78 29.2917
246.941 29.2813
233.616 29.1976
1360.08 29.1875
409.501 29.125
187.399 29.125
186.668 29.125
140.145 29.0714
765.418 29.0667
711.747 29.0536
1479.08 29.0489
626.614 29.0192
122.901 29.0114
785.228 29.005
846.944 29.
714.904 28.9231
281.987 28.9185
611.806 28.75
431.201 28.7202
292.142 28.7202
799.616 28.6713
1366.76 28.4402
891.393 28.35
201.3 28.3393
493.351 28.3214
175.513 28.2228
413.648 28.2083
53.2512 28.2045
719.356 28.125
378.154 28.125
311.887 28.125
232.505 28.125
354.475 28.0833
56.5319 28.0833
482.749 28.045
811.515 28.0417
390.665 28.0278
458.764 28.025
106.115 28.025
535.732 28.0208
1618.99 28.0074
105.711 28.0054
810.273 28.005
603.318 28.005
462.271 28.
1017.38 27.8182
414.398 27.6944
871.477 27.6429
935.207 27.625
793.998 27.5329
426.871 27.5329
821.746 27.5208
208.32 27.5208
165.795 27.5208
119.993 27.4821
206.549 27.4803
237.732 27.405
224.277 27.3967
1292.62 27.375
1693.47 27.3077
234.527 27.2917
222.03 27.2917
193.353 27.2663
217.015 27.245
1551.37 27.2269
1421.91 27.225
856.405 27.225
314.946 27.225
761.54 27.2112
901.869 27.1645
485.496 27.1645
1473.3 27.1488
385.036 27.1359
274.592 27.1157
561.386 27.1136
99.2367 27.0833
417.597 27.0769
462.477 27.0714
1251.71 27.0417
417.258 27.0417
41.9963 27.0357
179.656 27.0179
516.536 27.0156
1566.29 27.005
1445.87 26.9
540.752 26.8897
251.647 26.875
205.439 26.8409
147.428 26.7788
1517.81 26.7778
327.356 26.7778
1250.88 26.625
1162.67 26.6
218.73 26.5956
710.224 26.5577
450.46 26.4821
445.347 26.4803
434.536 26.4803
415.31 26.4803
573.817 26.4402
1296.88 26.4
192.222 26.4
1260.11 26.3393
136.673 26.3214
164.025 26.2813
1360.33 26.25
377.171 26.2426
1207.22 26.225
925.873 26.2045
695.564 26.1488
1556.48 26.1429
1623.14 26.1359
56.0932 26.1359
1294.32 26.125
109.215 26.125
354.994 26.1
644.297 26.0625
612.526 26.0536
666.594 26.0489
1120.37 26.045
73.0711 26.045
565.046 26.025
390.795 26.025
1672.79 26.0208
415.367 26.0208
678.433 26.0096
844.728 26.006
352.236 26.0054
934.521 26.005
752.289 26.
346.334 26.
1073.31 25.9423
762.095 25.9423
1317.97 25.9013
219.753 25.9013
1585.88 25.9
221.351 25.9
597.34 25.75
1510.67 25.7202
544.256 25.7202
133.365 25.7202
122.65 25.7202
116.658 25.7202
338.715 25.6923
1620.07 25.6576
529.955 25.605
674.66 25.5714
1668.82 25.5313
1094.7 25.5313
573.371 25.5313
40.576 25.4808
1224.63 25.4803
965.691 25.4803
50.917 25.4545
694.777 25.4444
1559.71 25.4402
665.452 25.4083
405.305 25.405
611.074 25.375
454.04 25.3491
73.2048 25.3393
527.186 25.3224
194.566 25.3224
435.569 25.3077
122.814 25.3077
91.1187 25.2857
1187.72 25.2663
1323.21 25.245
222.134 25.245
331.715 25.2426
292.103 25.2404
186.014 25.2404
1022.94 25.225
415.236 25.2045
92.0133 25.1667
1244.9 25.1635
1245.62 25.1488
457.536 25.1429
1474.68 25.125
515.243 25.125
395.75 25.125
176.5 25.125
757.877 25.1157
1384.63 25.1136
1216.86 25.1136
598.276 25.1111
1231.34 25.0909
116.535 25.0909
58.0451 25.0909
315.063 25.0833
215.571 25.0417
678.523 25.0066
504.422 25.006
428.33 25.006
391.47 25.006
1132.87 25.0054
224.642 25.0054
1565.91 25.005
414.968 25.0046
1231.93 25.
572.431 25.
418.264 25.
168.524 25.
157.795 25.
1326.84 24.9423
496.903 24.9013
65.0777 24.8409
1334.99 24.8182
427.929 24.8182
736.328 24.7813
535.953 24.7813
1352.46 24.75
396.351 24.7202
463.953 24.6944
662.608 24.6923
462.773 24.605
724.633 24.6
885.427 24.5714
1656.42 24.5707
664.736 24.5707
180.424 24.5682
251.306 24.5313
529.44 24.4808
90.2614 24.4712
219.493 24.4545
275.588 24.4444
191.172 24.3472
182.952 24.3393
49.0941 24.3393
43.6205 24.3393
853.827 24.3333
692.788 24.3333
249.262 24.3333
975.426 24.3224
1338.11 24.2917
659. 24.2841
1693.39 24.2663
972.62 24.25
1643.09 24.245
1464.53 24.225
369.195 24.225
219.675 24.225
665.087 24.2045
436.693 24.2045
277.171 24.2045
47.1695 24.2045
1684.87 24.1875
142.542 24.1875
1393.85 24.1838
1157.43 24.1645
866.79 24.1635
821.566 24.125
252.225 24.125
167.744 24.125
128.575 24.125
122.704 24.125
48.8401 24.125
761.73 24.1157
295.765 24.1111
286.044 24.1111
175.283 24.1111
48.505 24.1111
526.911 24.1
108.527 24.1
704.036 24.0592
248.205 24.0592
1290.43 24.0536
567.821 24.0536
436.933 24.0536
281.787 24.0536
228.782 24.0536
177.536 24.0536
185.056 24.0489
81.5293 24.045
589.53 24.025
336.319 24.025
467.938 24.0227
1586.65 24.0208
1328.24 24.0208
359.509 24.0192
587.995 24.0167
1113.81 24.0114
1606.56 24.0083
522.979 24.0083
1509.68 24.006
428.437 24.006
303.379 24.006
258.867 24.006
96.0434 24.006
1537.6 24.
1357.94 24.
774.239 24.
323.734 24.
1449.43 23.9013
1082.53 23.9013
570.916 23.9013
303.333 23.9013
811.232 23.9
519.472 23.9
678.682 23.8929
163.416 23.8897
1420.4 23.875
91.002 23.845
462.663 23.8182
1474.94 23.7961
91.3063 23.7813
53.2192 23.7813
57.2202 23.7788
768.648 23.7778
241.451 23.75
109.475 23.75
105.549 23.75
804.53 23.7202
70.2305 23.7202
241.957 23.675
101.258 23.6667
416.468 23.6544
1342.48 23.625
1155.66 23.625
713.055 23.625
218.397 23.625
1417.83 23.6
68.0654 23.5625
1012.4 23.5329
530.677 23.5329
511.336 23.5313
1084.38 23.5
86.7239 23.5
256.957 23.4803
471.678 23.4545
1652.2 23.4083
96.1383 23.4
1214.9 23.3636
1276.45 23.3603
279.676 23.3603
101.749 23.3603
823.984 23.3393
1094.98 23.3333
484.654 23.2813
213.698 23.2727
862.501 23.25
300.404 23.2228
373.014 23.2045
223.545 23.1875
176.278 23.1838
224.532 23.1667
1603.97 23.1645
1151.14 23.1645
1128.48 23.1645
267.912 23.1645
1043.12 23.1488
710.022 23.1488
661.045 23.1488
337.108 23.1488
184.872 23.1488
420.648 23.1429
225.787 23.1429
437.076 23.1359
1529.98 23.125
1334.84 23.125
1009.84 23.125
459.993 23.125
229.245 23.125
943.354 23.1118
671.978 23.1118
287.458 23.1023
1649.48 23.0909
841.501 23.0909
480.675 23.0909
79.9389 23.0909
358.975 23.0865
637.068 23.0833
48.6565 23.0536
1390.42 23.0357
1001.49 23.025
442.831 23.025
56.7171 23.025
658.499 23.0227
433.681 23.0227
149.156 23.0208
143.159 23.0208
101.035 23.0114
538.569 23.0083
1392.36 23.0074
1389.13 23.0074
991.813 23.0066
1062.56 23.006
809.833 23.006
318.499 23.006
1454.66 23.
189.083 23.
111.175 23.
1248.64 22.9
595.732 22.9
78.8299 22.8897
1694.54 22.875
1547.99 22.8409
760.452 22.8182
435.064 22.7961
343.664 22.7813
1361.01 22.7778
227.186 22.75
211.411 22.75
1188.39 22.7202
663.184 22.7202
155.443 22.7202
1027.86 22.6944
170.305 22.6944
1690.44 22.675
518.043 22.675
563.463 22.6576
1032.5 22.625
128.47 22.625
886.017 22.6
1533.14 22.5956
162.999 22.5956
1247.04 22.5714
418.893 22.5625
40.2014 22.5329
261.386 22.5313
137.207 22.5313
154.849 22.5
660.766 22.4821
266.442 22.4821
1462.78 22.4808
308.542 22.4803
174.135 22.4803
1582.28 22.4545
261.541 22.45
1163.36 22.4444
971.69 22.4444
1456.5 22.4402
1326.46 22.4402
249.751 22.4402
493.468 22.4
654.238 22.375
76.5243 22.3636
1353.25 22.3611
1043.94 22.3611
1030.75 22.3472
346.372 22.3393
702.349 22.3224
230.015 22.3224
166.185 22.3214
1213.92 22.2917
943.104 22.2917
202.653 22.2917
110.795 22.2917
660.15 22.2841
935.882 22.25
159.335 22.25
597.913 22.2269
1452.4 22.225
441.964 22.2045
310.141 22.2045
239.601 22.2
953.954 22.1645
906.349 22.1645
423.211 22.1645
994.106 22.1488
285.763 22.1429
461.935 22.1359
317.792 22.125
162.913 22.1157
1031.5 22.1118
305.12 22.1118
147.15 22.1118
46.8672 22.1
969.819 22.0909
689.084 22.0909
680.718 22.0909
591.598 22.0909
318.877 22.0833
355.469 22.075
1214.3 22.0662
682.574 22.0662
848.311 22.0592
1278.79 22.0536
838.779 22.0536
729.432 22.0536
106.071 22.0536
425.666 22.045
748.976 22.0417
166.5 22.0417
615.45 22.0313
500.121 22.0278
274.004 22.025
1334.11 22.0227
79.0145 22.0227
279.174 22.0083
1419.89 22.0066
1336.41 22.0066
781.925 22.0066
685.945 22.006
420.919 22.006
1535.41 22.
477.29 22.
458.494 22.
423.828 22.
148.625 22.
106.567 22.
139.167 21.9013
1532.27 21.9
411.366 21.8929
221.174 21.875
185.189 21.8182
1523.36 21.7202
1436.15 21.6944
564.616 21.6944
504.175 21.6944
66.0583 21.675
876.991 21.6667
1141.05 21.6544
797.857 21.625
432.805 21.625
83.0065 21.6
263.428 21.5956
1258.9 21.5714
572.27 21.5714
768.576 21.5682
772.505 21.5329
600.557 21.5313
59.8323 21.5313
1589.57 21.5208
1603.6 21.5
166.214 21.5
50.7121 21.4444
223.997 21.4083
88.2834 21.4083
243.212 21.4
44.4637 21.4
798.875 21.375
582.846 21.375
1229.65 21.3603
177.924 21.3603
1564.93 21.3333
652.678 21.3224
130.51 21.3224
965.005 21.3214
216.71 21.3214
83.0789 21.3214
1301.79 21.2857
812.012 21.2857
84.5011 21.2857
220.241 21.2813
65.0397 21.2813
72.2558 21.225
1500.66 21.2083
106.874 21.1838
67.3881 21.1838
177.115 21.1667
1530.75 21.1645
1328.34 21.1645
1159.67 21.1645
584.915 21.1645
467.573 21.1635
212.587 21.1635
58.0014 21.1488
1029.64 21.1359
1301.69 21.125
990.941 21.125
180.363 21.125
664.219 21.1118
722.425 21.1111
620.448 21.1111
420.504 21.1023
1427.65 21.1
1125.02 21.0909
536.846 21.0909
353.27 21.0865
249.39 21.0865
651.125 21.075
511.147 21.0662
74.4044 21.0662
1115.01 21.0592
937.237 21.0592
1584.87 21.0536
638.066 21.0536
555.994 21.0536
529.637 21.0536
44.368 21.0536
153.589 21.045
988.73 21.0313
222.595 21.0313
1136.81 21.0278
165.681 21.0278
646.559 21.025
62.9041 21.025
49.3824 21.025
1456.91 21.0227
416.931 21.0227
337.629 21.0208
687.326 21.0114
614.475 21.0083
369.123 21.0083
338.971 21.0083
229.759 21.0083
1322.75 21.0074
435.031 21.0066
1441.71 21.006
422.929 21.006
244.214 21.006
278.842 21.0046
1651.59 21.
1230.26 21.
1084.28 21.
775.052 21.
635.218 21.
583.019 21.
478.405 21.
287.799 21.
193.384 21.
61.2108 21.
1501.52 20.9205
277.768 20.9205
955.27 20.9013
1626.1 20.9
920.923 20.8929
97.4999 20.8929
365.078 20.8897
1511.75 20.8
599.892 20.7961
403.153 20.7813
347.641 20.7813
56.8434 20.7813
1095.74 20.7778
1555.49 20.6944
414.13 20.6944
497.838 20.6806
658.907 20.675
1015.83 20.6544
712.947 20.6544
204.256 20.625
1322.15 20.5956
962.96 20.5956
623.966 20.5956
226.189 20.5956
915.132 20.5682
648.718 20.5329
1061.15 20.5313
826.916 20.5313
1678.22 20.5
1300.59 20.5
733.767 20.5
672.1 20.5
637.735 20.5
293.444 20.4821
1004.22 20.4803
801.627 20.4803
315.158 20.4803
501.751 20.4444
314.432 20.4444
900.076 20.4083
461.339 20.4083
493.61 20.4
1595.18 20.375
1298.66 20.375
824.921 20.375
549.933 20.3636
1456.6 20.3611
824.609 20.3611
87.1048 20.3603
1250.11 20.3214
1180.01 20.3214
806.839 20.3214
201.035 20.3214
190.858 20.3214
347.169 20.2917
281.421 20.2857
171.655 20.2813
77.1009 20.2813
156.306 20.2663
45.4117 20.25
1391.49 20.2426
1184.33 20.2426
1252.56 20.2404
1652.74 20.225
1303.94 20.225
219.181 20.225
43.4948 20.225
851.55 20.2083
784.844 20.2083
678.09 20.1645
1352.24 20.1635
710.945 20.1635
77.694 20.1635
1580.88 20.1488
1696.1 20.125
1233.52 20.125
133.71 20.125
46.0178 20.125
1046.9 20.1118
307.393 20.1111
103.596 20.1023
239.076 20.1
294.475 20.0909
1005.15 20.0833
1240.24 20.0662
1239.28 20.0662
974.248 20.0662
1583.14 20.0592
1530.93 20.0592
1442.91 20.0592
956.22 20.0592
902.353 20.0536
194.989 20.0536
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1224.94 20.
1208.73 20.
925.332 20.
224.033 20.
70.4364 20.
496.152 19.9205
1668.05 19.8929
1625.87 19.8929
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699.923 19.
416.761 19.
250.802 19.
119.611 19.
1291.68 18.9205
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1618.5 18.
1513.31 18.
1492.37 18.
1409.98 18.
1344.85 18.
598.798 18.
292.316 18.
403.123 17.9205
1683.35 17.9
1516.84 17.9
1305.43 17.8929
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225.106 17.0066
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1256.17 17.
1079.02 17.
625.052 17.
388.743 17.
351.58 17.
268.393 17.
199.866 17.
178.951 17.
79.8979 17.
57.0196 17.
45.9656 17.
1415.29 16.9205
1202.2 16.9205
1174.16 16.8929
1081.36 16.8929
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609.315 16.
529.136 16.
523.407 16.
418.091 16.
321.727 16.
293.895 16.
280.701 16.
247.493 16.
168.695 16.
112.234 16.
86.0488 16.
48.7764 16.
806.277 15.9205
391.262 15.9205
360.515 15.9205
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780.917 15.4444
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303.023 15.4083
162.862 15.4083
49.1656 15.4083
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500.07 15.3603
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1547.84 15.3333
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544.317 15.3214
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365.43 15.3214
152.249 15.3214
127.202 15.3214
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128.818 15.2857
1658.5 15.2841
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677.849 15.2841
147.626 15.2841
93.8885 15.2841
92.6529 15.2841
470.295 15.2813
116.3 15.25
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1001.79 15.2404
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327.819 15.2404
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199.137 15.2404
147.656 15.2404
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458.85 15.006
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115.788 15.
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1240.76 14.9205
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1014.86 14.5714
341.78 14.5714
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1664.48 14.
1656.27 14.
1448.16 14.
1337.57 14.
1236.23 14.
1148.83 14.
840.339 14.
666.668 14.
648.833 14.
519.293 14.
480.298 14.
426.706 14.
380.9 14.
257.165 14.
255.564 14.
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141.022 14.
130.93 14.
121.289 14.
100.781 14.
70.8844 14.
42.5983 14.
1027.46 13.9205
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1025.73 13.1667
365.869 13.1667
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1110.6 13.1635
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153.308 13.1635
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1643.53 13.1607
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312.839 13.125
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1685.61 13.
1324.62 13.
1283.98 13.
1080.9 13.
880.255 13.
844.429 13.
766.773 13.
687.093 13.
426.772 13.
392.105 13.
380.944 13.
208.518 13.
194.621 13.
166.737 13.
163.975 13.
134.63 13.
127.001 13.
109.67 13.
52.8551 13.
833.451 12.9205
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425.821 12.1667
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110.747 12.1667
104.612 12.1667
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352.516 12.1023
352.279 12.1023
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394.536 12.0865
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365.321 12.0096
898.039 12.0083
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1427.22 12.
1395.14 12.
1122.38 12.
1000.39 12.
923.973 12.
819.431 12.
680.136 12.
527.056 12.
405.368 12.
312.415 12.
285.419 12.
116.708 12.
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442.4 11.6667
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639.574 11.5568
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863.847 11.2841
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499.392 11.2841
320.105 11.2841
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192.175 11.2841
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536.329 11.2404
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525.295 11.1023
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219.563 11.1023
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199.834 11.0865
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864.371 11.0114
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169.381 11.0114
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89.8739 11.0114
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1202.11 11.0096
661.487 11.0096
524.849 11.0096
410.917 11.0096
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362.196 11.0096
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1662.11 11.
1266.39 11.
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1015.73 11.
1006.76 11.
952.326 11.
911.617 11.
898.125 11.
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1635.56 10.9205
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400.723 10.4464
1479.52 10.375
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1064.13 10.375
784.489 10.375
345.922 10.375
194.35 10.375

