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1 mol 0 unq 0 iso 1 dist 9.59745 8.43234 8.82108 12.3342 8.86609 15.8156 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 9.1686 10.3489 8.99402 8.18003 9.75001 4.22006 numMergedOcc 0
3 mol 10 unq 0 iso 1 dist 8.99402 10.3489 9.1686 4.22006 9.75001 8.18003 numMergedOcc 0
4 mol 10 unq 1 iso 0 dist 9.1686 10.3489 8.99402 11.9528 9.06457 4.87654 numMergedOcc 0
5 mol 10 unq 1 iso 1 dist 8.99402 10.3489 9.1686 4.87654 9.06457 11.9528 numMergedOcc 0
6 mol 10 unq 2 iso 0 dist 9.1686 10.9317 7.3489 8.18003 9.75001 14.2329 numMergedOcc 0
7 mol 10 unq 2 iso 1 dist 7.3489 10.9317 9.1686 14.2329 9.75001 8.18003 numMergedOcc 0
8 mol 10 unq 3 iso 0 dist 9.1686 10.9317 7.3489 11.9528 9.06457 13.9362 numMergedOcc 0
9 mol 10 unq 3 iso 1 dist 7.3489 10.9317 9.1686 13.9362 9.06457 11.9528 numMergedOcc 0
10 mol 10 unq 2 iso 0 dist 8.99402 15.2253 7.3489 4.22006 9.75001 14.2329 numMergedOcc 0
11 mol 10 unq 2 iso 1 dist 7.3489 15.2253 8.99402 14.2329 9.75001 4.22006 numMergedOcc 0
12 mol 10 unq 3 iso 0 dist 8.99402 15.2253 7.3489 4.87654 9.06457 13.9362 numMergedOcc 0
13 mol 10 unq 3 iso 1 dist 7.3489 15.2253 8.99402 13.9362 9.06457 4.87654 numMergedOcc 0
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15 mol 38 unq 0 iso 1 dist 7.55357 9.83024 5.86243 9.37501 8.62204 5.45205 numMergedOcc 0
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17 mol 54 unq 0 iso 1 dist 9.89535 6.01538 6.79881 8.16424 8.80745 5.29182 numMergedOcc 0
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19 mol 55 unq 0 iso 1 dist 9.53303 8.81759 7.14636 3.98875 9.29917 7.92329 numMergedOcc 0
20 mol 64 unq 0 iso 0 dist 9.3473 6.90646 8.14932 10.6331 6.46589 8.87081 numMergedOcc 0
21 mol 64 unq 0 iso 1 dist 8.14932 6.90646 9.3473 8.87081 6.46589 10.6331 numMergedOcc 0
22 mol 64 unq 1 iso 0 dist 6.17846 6.36389 6.08228 9.56284 8.13162 7.91421 numMergedOcc 0
23 mol 64 unq 1 iso 1 dist 6.08228 6.36389 6.17846 7.91421 8.13162 9.56284 numMergedOcc 0
24 mol 64 unq 2 iso 0 dist 6.17846 13.347 9.86958 9.56284 8.13162 5.48409 numMergedOcc 0
25 mol 64 unq 2 iso 1 dist 9.86958 13.347 6.17846 5.48409 8.13162 9.56284 numMergedOcc 0
26 mol 64 unq 2 iso 0 dist 6.08228 12.1186 9.86958 7.91421 8.13162 5.48409 numMergedOcc 0
27 mol 64 unq 2 iso 1 dist 9.86958 12.1186 6.08228 5.48409 8.13162 7.91421 numMergedOcc 0
28 mol 73 unq 0 iso 0 dist 5.92936 11.6681 8.4438 8.57639 7.75341 4.93697 numMergedOcc 0
29 mol 73 unq 0 iso 1 dist 8.4438 11.6681 5.92936 4.93697 7.75341 8.57639 numMergedOcc 0
30 mol 130 unq 0 iso 0 dist 7.9663 5.84182 6.54338 7.12852 7.06547 3.79867 numMergedOcc 0
31 mol 130 unq 0 iso 1 dist 6.54338 5.84182 7.9663 3.79867 7.06547 7.12852 numMergedOcc 0
32 mol 130 unq 1 iso 0 dist 7.9663 13.2888 7.47653 7.12852 7.06547 9.23498 numMergedOcc 0
33 mol 130 unq 1 iso 1 dist 7.47653 13.2888 7.9663 9.23498 7.06547 7.12852 numMergedOcc 0
34 mol 130 unq 1 iso 0 dist 6.54338 8.39466 7.47653 3.79867 7.06547 9.23498 numMergedOcc 0
35 mol 130 unq 1 iso 1 dist 7.47653 8.39466 6.54338 9.23498 7.06547 3.79867 numMergedOcc 0
36 mol 183 unq 0 iso 0 dist 6.21267 7.42362 7.41743 5.49911 8.41645 10.5387 numMergedOcc 0
37 mol 183 unq 0 iso 1 dist 7.41743 7.42362 6.21267 10.5387 8.41645 5.49911 numMergedOcc 0
38 mol 210 unq 0 iso 0 dist 6.24111 4.80965 9.00343 7.28395 9.11574 7.49477 numMergedOcc 0
39 mol 210 unq 0 iso 1 dist 9.00343 4.80965 6.24111 7.49477 9.11574 7.28395 numMergedOcc 0
40 mol 210 unq 1 iso 0 dist 6.24111 6.68286 6.41444 7.28395 9.11574 4.78349 numMergedOcc 0
41 mol 210 unq 1 iso 1 dist 6.41444 6.68286 6.24111 4.78349 9.11574 7.28395 numMergedOcc 0
42 mol 210 unq 1 iso 0 dist 9.00343 9.50065 6.41444 7.49477 9.11574 4.78349 numMergedOcc 0
43 mol 210 unq 1 iso 1 dist 6.41444 9.50065 9.00343 4.78349 9.11574 7.49477 numMergedOcc 0
44 mol 218 unq 0 iso 0 dist 4.61671 6.98423 8.44004 8.06186 8.38813 7.45028 numMergedOcc 0
45 mol 218 unq 0 iso 1 dist 8.44004 6.98423 4.61671 7.45028 8.38813 8.06186 numMergedOcc 0
46 mol 219 unq 0 iso 0 dist 4.67452 8.93116 9.86916 4.74338 8.38773 13.1198 numMergedOcc 0
47 mol 219 unq 0 iso 1 dist 9.86916 8.93116 4.67452 13.1198 8.38773 4.74338 numMergedOcc 0
48 mol 223 unq 0 iso 0 dist 6.03408 7.75335 7.80764 11.7563 8.85178 8.1388 numMergedOcc 0
49 mol 223 unq 0 iso 1 dist 7.80764 7.75335 6.03408 8.1388 8.85178 11.7563 numMergedOcc 0
50 mol 223 unq 1 iso 0 dist 6.03408 7.75335 7.80764 8.87398 9.73123 14.288 numMergedOcc 0
51 mol 223 unq 1 iso 1 dist 7.80764 7.75335 6.03408 14.288 9.73123 8.87398 numMergedOcc 0
52 mol 232 unq 0 iso 0 dist 7.76477 8.24678 6.82688 10.2308 9.11418 13.0806 numMergedOcc 0
53 mol 232 unq 0 iso 1 dist 6.82688 8.24678 7.76477 13.0806 9.11418 10.2308 numMergedOcc 0
54 mol 232 unq 1 iso 0 dist 7.76477 4.22519 5.92175 10.2308 9.11418 6.2559 numMergedOcc 0
55 mol 232 unq 1 iso 1 dist 5.92175 4.22519 7.76477 6.2559 9.11418 10.2308 numMergedOcc 0
56 mol 232 unq 1 iso 0 dist 6.82688 9.1904 5.92175 13.0806 9.11418 6.2559 numMergedOcc 0
57 mol 232 unq 1 iso 1 dist 5.92175 9.1904 6.82688 6.2559 9.11418 13.0806 numMergedOcc 0
58 mol 266 unq 0 iso 0 dist 6.58277 6.70676 8.42706 12.6355 9.97206 16.8963 numMergedOcc 0
59 mol 266 unq 0 iso 1 dist 8.42706 6.70676 6.58277 16.8963 9.97206 12.6355 numMergedOcc 0
60 mol 266 unq 1 iso 0 dist 6.58277 13.1611 8.12204 12.6355 9.97206 5.85295 numMergedOcc 0
61 mol 266 unq 1 iso 1 dist 8.12204 13.1611 6.58277 5.85295 9.97206 12.6355 numMergedOcc 0
62 mol 266 unq 1 iso 0 dist 8.42706 16.4476 8.12204 16.8963 9.97206 5.85295 numMergedOcc 0
63 mol 266 unq 1 iso 1 dist 8.12204 16.4476 8.42706 5.85295 9.97206 16.8963 numMergedOcc 0
64 mol 279 unq 0 iso 0 dist 5.78017 6.22487 6.12742 4.91802 8.9352 9.35656 numMergedOcc 0
65 mol 279 unq 0 iso 1 dist 6.12742 6.22487 5.78017 9.35656 8.9352 4.91802 numMergedOcc 0
66 mol 287 unq 0 iso 0 dist 4.49185 4.88833 7.22938 10.6613 9.94851 12.7859 numMergedOcc 0
67 mol 287 unq 0 iso 1 dist 7.22938 4.88833 4.49185 12.7859 9.94851 10.6613 numMergedOcc 0
68 mol 287 unq 1 iso 0 dist 4.49185 9.86126 9.94176 10.6613 9.94851 15.0697 numMergedOcc 0
69 mol 287 unq 1 iso 1 dist 9.94176 9.86126 4.49185 15.0697 9.94851 10.6613 numMergedOcc 0
70 mol 287 unq 1 iso 0 dist 7.22938 5.68701 9.94176 12.7859 9.94851 15.0697 numMergedOcc 0
71 mol 287 unq 1 iso 1 dist 9.94176 5.68701 7.22938 15.0697 9.94851 12.7859 numMergedOcc 0
72 mol 288 unq 0 iso 0 dist 4.49185 4.88833 7.22938 10.6613 9.94851 12.7859 numMergedOcc 0
73 mol 288 unq 0 iso 1 dist 7.22938 4.88833 4.49185 12.7859 9.94851 10.6613 numMergedOcc 0
74 mol 288 unq 1 iso 0 dist 4.49185 9.86126 9.94176 10.6613 9.94851 15.0697 numMergedOcc 0
75 mol 288 unq 1 iso 1 dist 9.94176 9.86126 4.49185 15.0697 9.94851 10.6613 numMergedOcc 0
76 mol 288 unq 1 iso 0 dist 7.22938 5.68701 9.94176 12.7859 9.94851 15.0697 numMergedOcc 0
77 mol 288 unq 1 iso 1 dist 9.94176 5.68701 7.22938 15.0697 9.94851 12.7859 numMergedOcc 0
78 mol 289 unq 0 iso 0 dist 4.49185 4.88833 7.22938 10.6613 9.94851 12.7859 numMergedOcc 0
79 mol 289 unq 0 iso 1 dist 7.22938 4.88833 4.49185 12.7859 9.94851 10.6613 numMergedOcc 0
80 mol 289 unq 1 iso 0 dist 4.49185 9.86126 9.94176 10.6613 9.94851 15.0697 numMergedOcc 0
81 mol 289 unq 1 iso 1 dist 9.94176 9.86126 4.49185 15.0697 9.94851 10.6613 numMergedOcc 0
82 mol 289 unq 1 iso 0 dist 7.22938 5.68701 9.94176 12.7859 9.94851 15.0697 numMergedOcc 0
83 mol 289 unq 1 iso 1 dist 9.94176 5.68701 7.22938 15.0697 9.94851 12.7859 numMergedOcc 0
