0 mol 0 unq 0 iso 0 dist 7.65806 9.72725 6.0225 10.5877 10.5603 5.88757 14.2251 10.4406 8.66548 8.8123 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 7.65806 9.72725 6.0225 14.2251 10.4406 8.66548 10.5877 10.5603 5.88757 8.8123 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.57077 5.8245 5.84314 8.27962 6.85412 9.71516 11.4878 6.33889 9.81658 5.80437 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 8.57077 5.8245 5.84314 11.4878 6.33889 9.81658 8.27962 6.85412 9.71516 5.80437 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.81627 5.38524 5.61579 5.98837 8.26899 7.03126 8.48255 10.947 9.68228 14.2885 numMergedOcc 0
5 mol 58 unq 0 iso 1 dist 6.81627 5.38524 5.61579 8.48255 10.947 9.68228 5.98837 8.26899 7.03126 14.2885 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 7.32874 8.69057 5.61579 4.55117 8.26899 7.03126 13.3401 10.947 9.68228 14.2885 numMergedOcc 0
7 mol 58 unq 1 iso 1 dist 7.32874 8.69057 5.61579 13.3401 10.947 9.68228 4.55117 8.26899 7.03126 14.2885 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 9.96708 9.55118 5.69391 7.11552 6.77912 5.4605 12.3903 10.4226 6.1906 6.31884 numMergedOcc 0
9 mol 72 unq 0 iso 1 dist 9.96708 9.55118 5.69391 12.3903 10.4226 6.1906 7.11552 6.77912 5.4605 6.31884 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 9.96708 9.55118 5.69391 7.11552 6.77912 5.4605 7.17489 10.4676 6.7272 4.64409 numMergedOcc 0
11 mol 72 unq 1 iso 1 dist 9.96708 9.55118 5.69391 7.17489 10.4676 6.7272 7.11552 6.77912 5.4605 4.64409 numMergedOcc 0
12 mol 72 unq 1 iso 0 dist 9.96708 9.55118 5.69391 12.3903 10.4226 6.1906 7.17489 10.4676 6.7272 6.08893 numMergedOcc 0
13 mol 72 unq 1 iso 1 dist 9.96708 9.55118 5.69391 7.17489 10.4676 6.7272 12.3903 10.4226 6.1906 6.08893 numMergedOcc 0
14 mol 72 unq 2 iso 0 dist 9.78528 9.55118 9.78221 7.11552 11.9814 5.4605 12.3903 15.7961 6.1906 6.31884 numMergedOcc 0
15 mol 72 unq 2 iso 1 dist 9.78528 9.55118 9.78221 12.3903 15.7961 6.1906 7.11552 11.9814 5.4605 6.31884 numMergedOcc 0
16 mol 72 unq 3 iso 0 dist 9.78528 9.55118 9.78221 7.11552 11.9814 5.4605 7.17489 13.3943 6.7272 4.64409 numMergedOcc 0
17 mol 72 unq 3 iso 1 dist 9.78528 9.55118 9.78221 7.17489 13.3943 6.7272 7.11552 11.9814 5.4605 4.64409 numMergedOcc 0
18 mol 72 unq 3 iso 0 dist 9.78528 9.55118 9.78221 12.3903 15.7961 6.1906 7.17489 13.3943 6.7272 6.08893 numMergedOcc 0
19 mol 72 unq 3 iso 1 dist 9.78528 9.55118 9.78221 7.17489 13.3943 6.7272 12.3903 15.7961 6.1906 6.08893 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 8.73993 7.64052 9.68677 10.0197 14.0269 6.13374 10.6679 9.63176 9.08536 8.58342 numMergedOcc 0
21 mol 119 unq 0 iso 1 dist 8.73993 7.64052 9.68677 10.6679 9.63176 9.08536 10.0197 14.0269 6.13374 8.58342 numMergedOcc 0
22 mol 119 unq 1 iso 0 dist 9.87172 6.99446 6.20019 6.35763 6.19042 6.13374 7.36192 7.44174 9.08536 8.58342 numMergedOcc 0
23 mol 119 unq 1 iso 1 dist 9.87172 6.99446 6.20019 7.36192 7.44174 9.08536 6.35763 6.19042 6.13374 8.58342 numMergedOcc 0
24 mol 119 unq 2 iso 0 dist 6.18601 8.95212 4.39676 10.3457 8.43904 6.13374 16.7975 13.4411 9.08536 8.58342 numMergedOcc 0
25 mol 119 unq 2 iso 1 dist 6.18601 8.95212 4.39676 16.7975 13.4411 9.08536 10.3457 8.43904 6.13374 8.58342 numMergedOcc 0
26 mol 143 unq 0 iso 0 dist 5.99315 7.36975 13.1926 6.01455 9.27292 7.05845 5.44503 9.93541 8.18023 10.2334 numMergedOcc 0
27 mol 143 unq 0 iso 1 dist 5.99315 7.36975 13.1926 5.44503 9.93541 8.18023 6.01455 9.27292 7.05845 10.2334 numMergedOcc 0
28 mol 155 unq 0 iso 0 dist 7.46303 8.97626 9.16779 12.8482 15.9495 7.29911 8.27726 12.1081 5.36254 5.68272 numMergedOcc 0
29 mol 155 unq 0 iso 1 dist 7.46303 8.97626 9.16779 8.27726 12.1081 5.36254 12.8482 15.9495 7.29911 5.68272 numMergedOcc 0
30 mol 155 unq 1 iso 0 dist 6.43582 8.97626 4.91785 12.8482 9.38946 7.29911 8.27726 7.36102 5.36254 5.68272 numMergedOcc 0
31 mol 155 unq 1 iso 1 dist 6.43582 8.97626 4.91785 8.27726 7.36102 5.36254 12.8482 9.38946 7.29911 5.68272 numMergedOcc 0
32 mol 224 unq 0 iso 0 dist 6.61986 8.08349 5.13732 10.7113 8.19953 5.73591 11.4491 11.5717 8.55345 4.74813 numMergedOcc 0
33 mol 224 unq 0 iso 1 dist 6.61986 8.08349 5.13732 11.4491 11.5717 8.55345 10.7113 8.19953 5.73591 4.74813 numMergedOcc 0
34 mol 234 unq 0 iso 0 dist 9.45496 7.81215 12.4252 5.56749 15.004 9.11572 15.015 21.615 9.49229 12.4341 numMergedOcc 0
35 mol 234 unq 0 iso 1 dist 9.45496 7.81215 12.4252 15.015 21.615 9.49229 5.56749 15.004 9.11572 12.4341 numMergedOcc 0
36 mol 234 unq 1 iso 0 dist 9.45496 7.81215 12.4252 5.56749 15.004 9.11572 12.1076 17.6567 7.20293 10.9755 numMergedOcc 0
37 mol 234 unq 1 iso 1 dist 9.45496 7.81215 12.4252 12.1076 17.6567 7.20293 5.56749 15.004 9.11572 10.9755 numMergedOcc 0
38 mol 234 unq 1 iso 0 dist 9.45496 7.81215 12.4252 15.015 21.615 9.49229 12.1076 17.6567 7.20293 5.6054 numMergedOcc 0
39 mol 234 unq 1 iso 1 dist 9.45496 7.81215 12.4252 12.1076 17.6567 7.20293 15.015 21.615 9.49229 5.6054 numMergedOcc 0
40 mol 234 unq 2 iso 0 dist 6.7625 7.81215 5.75498 5.56749 10.8628 9.11572 15.015 15.1691 9.49229 12.4341 numMergedOcc 0
41 mol 234 unq 2 iso 1 dist 6.7625 7.81215 5.75498 15.015 15.1691 9.49229 5.56749 10.8628 9.11572 12.4341 numMergedOcc 0
42 mol 234 unq 3 iso 0 dist 6.7625 7.81215 5.75498 5.56749 10.8628 9.11572 12.1076 12.6312 7.20293 10.9755 numMergedOcc 0
43 mol 234 unq 3 iso 1 dist 6.7625 7.81215 5.75498 12.1076 12.6312 7.20293 5.56749 10.8628 9.11572 10.9755 numMergedOcc 0
44 mol 234 unq 3 iso 0 dist 6.7625 7.81215 5.75498 15.015 15.1691 9.49229 12.1076 12.6312 7.20293 5.6054 numMergedOcc 0
45 mol 234 unq 3 iso 1 dist 6.7625 7.81215 5.75498 12.1076 12.6312 7.20293 15.015 15.1691 9.49229 5.6054 numMergedOcc 0
46 mol 238 unq 0 iso 0 dist 6.22714 9.08509 12.7938 5.17471 7.49471 5.43613 5.03393 10.9946 7.06768 6.34909 numMergedOcc 0
47 mol 238 unq 0 iso 1 dist 6.22714 9.08509 12.7938 5.03393 10.9946 7.06768 5.17471 7.49471 5.43613 6.34909 numMergedOcc 0
48 mol 238 unq 1 iso 0 dist 7.31233 9.08509 11.0772 5.17471 7.19008 5.43613 5.03393 11.3465 7.06768 6.34909 numMergedOcc 0
49 mol 238 unq 1 iso 1 dist 7.31233 9.08509 11.0772 5.03393 11.3465 7.06768 5.17471 7.19008 5.43613 6.34909 numMergedOcc 0
