0 mol 19 unq 0 iso 0 dist 8.4674 4.54938 7.67038 7.82074 10.3915 5.03957 6.41575 4.64838 4.97119 6.01808 9.74255 8.40416 7.75618 12.3215 9.95212 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 8.4674 7.82074 10.3915 4.54938 7.67038 5.03957 6.41575 4.64838 6.01808 4.97119 9.74255 8.40416 12.3215 7.75618 9.95212 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 4.54938 7.20519 7.34551 6.864 5.80928 7.07775 7.75618 9.74255 4.96411 7.08342 4.97119 6.41575 10.741 6.41423 9.95212 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 4.54938 6.864 5.80928 7.20519 7.34551 7.07775 7.75618 9.74255 7.08342 4.96411 4.97119 6.41575 6.41423 10.741 9.95212 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 6.41575 4.97119 4.64838 6.01808 9.74255 7.75618 8.40416 12.3215 9.95212 numMergedOcc 0
5 mol 19 unq 2 iso 1 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 6.41575 4.97119 6.01808 4.64838 9.74255 7.75618 12.3215 8.40416 9.95212 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 6.864 7.20519 7.07775 4.54938 5.80928 7.34551 7.75618 7.08342 4.96411 9.74255 4.97119 6.41423 10.741 6.41575 9.95212 numMergedOcc 0
7 mol 19 unq 3 iso 1 dist 6.864 4.54938 5.80928 7.20519 7.07775 7.34551 7.75618 7.08342 9.74255 4.96411 4.97119 6.41423 6.41575 10.741 9.95212 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 6.83299 9.5589 5.08001 8.10861 14.2075 16.3192 7.21717 13.86 15.293 5.99981 4.29856 6.14538 10.6808 10.4158 10.7227 numMergedOcc 0
9 mol 54 unq 0 iso 1 dist 6.83299 8.10861 14.2075 9.5589 5.08001 16.3192 7.21717 13.86 5.99981 15.293 4.29856 6.14538 10.4158 10.6808 10.7227 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 6.86465 6.62496 5.30792 6.35756 5.35073 4.81926 8.80614 10.2049 9.95364 5.49591 5.78774 9.92355 5.93884 7.68678 10.2007 numMergedOcc 0
11 mol 58 unq 0 iso 1 dist 6.86465 6.35756 5.35073 6.62496 5.30792 4.81926 8.80614 10.2049 5.49591 9.95364 5.78774 9.92355 7.68678 5.93884 10.2007 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 6.62496 6.86465 5.30792 6.35756 4.81926 5.35073 8.80614 9.95364 10.2049 5.49591 5.78774 5.93884 9.92355 7.68678 10.2007 numMergedOcc 0
13 mol 58 unq 1 iso 1 dist 6.62496 6.35756 4.81926 6.86465 5.30792 5.35073 8.80614 9.95364 5.49591 10.2049 5.78774 5.93884 7.68678 9.92355 10.2007 numMergedOcc 0
14 mol 58 unq 2 iso 0 dist 6.35756 6.86465 5.35073 6.62496 4.81926 5.30792 8.80614 5.49591 10.2049 9.95364 5.78774 7.68678 9.92355 5.93884 10.2007 numMergedOcc 0
15 mol 58 unq 2 iso 1 dist 6.35756 6.62496 4.81926 6.86465 5.35073 5.30792 8.80614 5.49591 9.95364 10.2049 5.78774 7.68678 5.93884 9.92355 10.2007 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 6.10456 8.40073 9.42358 6.65501 4.4057 7.42446 9.67482 7.06961 6.7117 9.42961 4.47349 6.88901 numMergedOcc 0
17 mol 98 unq 0 iso 1 dist 5.08437 6.10456 8.40073 6.48948 9.51923 9.42358 6.65501 4.4057 9.67482 7.42446 7.06961 6.7117 4.47349 9.42961 6.88901 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 6.10456 5.08437 8.40073 6.48948 9.42358 9.51923 6.65501 9.67482 4.4057 7.42446 7.06961 4.47349 6.7117 9.42961 6.88901 numMergedOcc 0
19 mol 98 unq 1 iso 1 dist 6.10456 6.48948 9.42358 5.08437 8.40073 9.51923 6.65501 9.67482 7.42446 4.4057 7.06961 4.47349 9.42961 6.7117 6.88901 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 7.17106 9.60661 11.5403 9.35224 8.87654 7.80879 7.01812 8.4128 5.80144 10.0456 10.6848 7.10378 14.8081 15.2289 9.5057 numMergedOcc 0
21 mol 100 unq 0 iso 1 dist 7.17106 9.35224 8.87654 9.60661 11.5403 7.80879 7.01812 8.4128 10.0456 5.80144 10.6848 7.10378 15.2289 14.8081 9.5057 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 7.38135 11.2312 7.11701 7.79768 12.2861 8.30845 10.6086 18.1777 17.21 numMergedOcc 0
23 mol 100 unq 1 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 7.38135 11.2312 7.79768 7.11701 12.2861 8.30845 18.1777 10.6086 17.21 numMergedOcc 0
24 mol 100 unq 2 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 7.38135 11.2312 7.11701 7.79768 15.5385 8.76378 13.2102 14.0386 18.3027 numMergedOcc 0
25 mol 100 unq 2 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 7.38135 11.2312 7.79768 7.11701 15.5385 8.76378 14.0386 13.2102 18.3027 numMergedOcc 0
26 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 8.30845 12.2861 5.80144 10.0456 11.2312 7.38135 15.4031 17.2419 17.21 numMergedOcc 0
27 mol 100 unq 3 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 8.30845 12.2861 10.0456 5.80144 11.2312 7.38135 17.2419 15.4031 17.21 numMergedOcc 0
28 mol 100 unq 4 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 8.76378 15.5385 12.3577 4.97045 11.2312 7.38135 15.4031 17.2419 18.3027 numMergedOcc 0
29 mol 100 unq 4 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 8.76378 15.5385 4.97045 12.3577 11.2312 7.38135 17.2419 15.4031 18.3027 numMergedOcc 0
30 mol 100 unq 5 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 8.30845 12.2861 5.80144 6.70236 11.2312 7.38135 15.4031 19.8941 17.21 numMergedOcc 0
31 mol 100 unq 5 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 8.30845 12.2861 6.70236 5.80144 11.2312 7.38135 19.8941 15.4031 17.21 numMergedOcc 0
32 mol 100 unq 6 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 8.76378 15.5385 12.3577 10.7791 11.2312 7.38135 15.4031 19.8941 18.3027 numMergedOcc 0
33 mol 100 unq 6 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 8.76378 15.5385 10.7791 12.3577 11.2312 7.38135 19.8941 15.4031 18.3027 numMergedOcc 0
34 mol 100 unq 5 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 8.30845 12.2861 10.0456 6.70236 11.2312 7.38135 17.2419 19.8941 17.21 numMergedOcc 0
35 mol 100 unq 5 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 8.30845 12.2861 6.70236 10.0456 11.2312 7.38135 19.8941 17.2419 17.21 numMergedOcc 0
36 mol 100 unq 6 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 8.76378 15.5385 4.97045 10.7791 11.2312 7.38135 17.2419 19.8941 18.3027 numMergedOcc 0
37 mol 100 unq 6 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 8.76378 15.5385 10.7791 4.97045 11.2312 7.38135 19.8941 17.2419 18.3027 numMergedOcc 0
38 mol 131 unq 0 iso 0 dist 6.85062 8.40312 10.7062 7.12972 6.63273 5.55373 9.90168 13.7237 7.7567 8.23791 14.2045 8.70296 18.0058 12.6227 18.6956 numMergedOcc 0
39 mol 131 unq 0 iso 1 dist 6.85062 7.12972 6.63273 8.40312 10.7062 5.55373 9.90168 13.7237 8.23791 7.7567 14.2045 8.70296 12.6227 18.0058 18.6956 numMergedOcc 0
40 mol 131 unq 1 iso 0 dist 6.85062 8.40312 10.7062 7.12972 6.63273 5.55373 9.90168 13.7237 7.7567 8.23791 5.09131 9.25558 13.44 11.586 13.2952 numMergedOcc 0
41 mol 131 unq 1 iso 1 dist 6.85062 7.12972 6.63273 8.40312 10.7062 5.55373 9.90168 13.7237 8.23791 7.7567 5.09131 9.25558 11.586 13.44 13.2952 numMergedOcc 0
42 mol 134 unq 0 iso 0 dist 6.49416 8.94367 8.80819 6.37586 5.00817 5.49782 6.23142 5.71679 4.57832 5.29786 9.87376 7.80532 10.5252 10.7586 6.40575 numMergedOcc 0
43 mol 134 unq 0 iso 1 dist 6.49416 6.37586 5.00817 8.94367 8.80819 5.49782 6.23142 5.71679 5.29786 4.57832 9.87376 7.80532 10.7586 10.5252 6.40575 numMergedOcc 0
44 mol 156 unq 0 iso 0 dist 7.44554 8.94056 5.56175 9.83699 8.38403 11.2719 9.4013 5.71511 6.13574 5.80008 5.4555 9.44367 7.90267 10.3379 8.37434 numMergedOcc 0
45 mol 156 unq 0 iso 1 dist 7.44554 9.83699 8.38403 8.94056 5.56175 11.2719 9.4013 5.71511 5.80008 6.13574 5.4555 9.44367 10.3379 7.90267 8.37434 numMergedOcc 0
46 mol 156 unq 1 iso 0 dist 7.44554 8.94056 5.56175 9.83699 8.38403 11.2719 9.4013 5.71511 6.13574 5.80008 11.9952 9.47433 14.7758 13.0431 14.1424 numMergedOcc 0
47 mol 156 unq 1 iso 1 dist 7.44554 9.83699 8.38403 8.94056 5.56175 11.2719 9.4013 5.71511 5.80008 6.13574 11.9952 9.47433 13.0431 14.7758 14.1424 numMergedOcc 0
48 mol 156 unq 2 iso 0 dist 8.94056 7.44554 5.56175 9.83699 11.2719 8.38403 9.4013 6.13574 5.71511 5.80008 5.4555 7.90267 9.44367 10.3379 8.37434 numMergedOcc 0
49 mol 156 unq 2 iso 1 dist 8.94056 9.83699 11.2719 7.44554 5.56175 8.38403 9.4013 6.13574 5.80008 5.71511 5.4555 7.90267 10.3379 9.44367 8.37434 numMergedOcc 0
50 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 9.15386 12.1628 5.16002 8.90963 8.91338 9.81073 9.34211 6.6251 6.2479 7.99195 12.8533 12.1629 numMergedOcc 0
51 mol 181 unq 0 iso 1 dist 9.1374 9.15386 12.1628 5.98885 8.88798 5.16002 8.90963 8.91338 9.34211 9.81073 6.6251 6.2479 12.8533 7.99195 12.1629 numMergedOcc 0
52 mol 181 unq 1 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 8.90963 9.81073 8.91338 9.34211 5.6044 9.72611 14.2254 10.428 10.515 numMergedOcc 0
53 mol 181 unq 1 iso 1 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 8.90963 9.81073 9.34211 8.91338 5.6044 9.72611 10.428 14.2254 10.515 numMergedOcc 0
54 mol 181 unq 2 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 8.90963 9.81073 8.91338 9.34211 6.6251 7.99195 6.2479 12.8533 12.1629 numMergedOcc 0
55 mol 181 unq 2 iso 1 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 8.90963 9.81073 9.34211 8.91338 6.6251 7.99195 12.8533 6.2479 12.1629 numMergedOcc 0
56 mol 205 unq 0 iso 0 dist 7.26832 6.03031 7.38516 7.80463 13.8543 8.18714 6.03688 12.4957 8.15057 6.09749 10.3603 5.44002 12.3113 17.9798 15.3509 numMergedOcc 0
57 mol 205 unq 0 iso 1 dist 7.26832 7.80463 13.8543 6.03031 7.38516 8.18714 6.03688 12.4957 6.09749 8.15057 10.3603 5.44002 17.9798 12.3113 15.3509 numMergedOcc 0
