0 mol 63 unq 0 iso 0 dist 8.74231 9.5469 8.52783 7.04642 6.65465 5.0104 numMergedOcc 0
1 mol 63 unq 0 iso 1 dist 8.52783 9.5469 8.74231 5.0104 6.65465 7.04642 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 9.60879 4.48144 9.61096 4.37571 9.37524 7.64952 numMergedOcc 0
3 mol 69 unq 0 iso 1 dist 9.61096 4.48144 9.60879 7.64952 9.37524 4.37571 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 5.17291 9.5551 8.81569 7.41931 8.83 6.96393 numMergedOcc 0
5 mol 76 unq 0 iso 1 dist 8.81569 9.5551 5.17291 6.96393 8.83 7.41931 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 8.364 10.3264 7.37255 8.14775 4.75701 4.03085 numMergedOcc 0
7 mol 90 unq 0 iso 1 dist 7.37255 10.3264 8.364 4.03085 4.75701 8.14775 numMergedOcc 0
8 mol 90 unq 1 iso 0 dist 8.364 10.3264 7.37255 14.9764 9.89618 4.99029 numMergedOcc 0
9 mol 90 unq 1 iso 1 dist 7.37255 10.3264 8.364 4.99029 9.89618 14.9764 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 6.20985 4.50095 7.69466 9.59863 8.16369 11.7372 numMergedOcc 0
11 mol 186 unq 0 iso 1 dist 7.69466 4.50095 6.20985 11.7372 8.16369 9.59863 numMergedOcc 0
12 mol 197 unq 0 iso 0 dist 9.00273 8.99694 7.19387 6.73386 9.14737 12.9164 numMergedOcc 0
13 mol 197 unq 0 iso 1 dist 7.19387 8.99694 9.00273 12.9164 9.14737 6.73386 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 9.65951 7.99053 9.14829 6.43379 6.20646 4.88222 numMergedOcc 0
15 mol 204 unq 0 iso 1 dist 9.14829 7.99053 9.65951 4.88222 6.20646 6.43379 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 9.65951 7.99053 9.14829 15.1056 6.73266 11.2409 numMergedOcc 0
17 mol 204 unq 1 iso 1 dist 9.14829 7.99053 9.65951 11.2409 6.73266 15.1056 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 6.9028 6.5657 7.23901 9.44535 6.93717 4.96764 numMergedOcc 0
19 mol 220 unq 0 iso 1 dist 7.23901 6.5657 6.9028 4.96764 6.93717 9.44535 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 8.58958 11.2933 9.70004 5.72206 6.15754 5.84758 numMergedOcc 0
21 mol 234 unq 0 iso 1 dist 9.70004 11.2933 8.58958 5.84758 6.15754 5.72206 numMergedOcc 0
22 mol 234 unq 1 iso 0 dist 8.58958 11.2933 9.70004 11.3977 6.6281 4.44377 numMergedOcc 0
23 mol 234 unq 1 iso 1 dist 9.70004 11.2933 8.58958 4.44377 6.6281 11.3977 numMergedOcc 0
24 mol 241 unq 0 iso 0 dist 5.40961 4.07018 8.74174 6.80635 6.97756 8.1217 numMergedOcc 0
25 mol 241 unq 0 iso 1 dist 8.74174 4.07018 5.40961 8.1217 6.97756 6.80635 numMergedOcc 0
26 mol 241 unq 1 iso 0 dist 5.40961 7.37399 5.57621 6.80635 6.97756 4.83527 numMergedOcc 0
27 mol 241 unq 1 iso 1 dist 5.57621 7.37399 5.40961 4.83527 6.97756 6.80635 numMergedOcc 0
28 mol 241 unq 2 iso 0 dist 5.40961 10.6514 8.28853 6.80635 6.97756 4.77831 numMergedOcc 0
29 mol 241 unq 2 iso 1 dist 8.28853 10.6514 5.40961 4.77831 6.97756 6.80635 numMergedOcc 0
30 mol 241 unq 3 iso 0 dist 5.40961 10.8361 8.71739 6.80635 6.97756 7.76743 numMergedOcc 0
31 mol 241 unq 3 iso 1 dist 8.71739 10.8361 5.40961 7.76743 6.97756 6.80635 numMergedOcc 0
32 mol 241 unq 1 iso 0 dist 8.74174 10.5562 5.57621 8.1217 6.97756 4.83527 numMergedOcc 0
33 mol 241 unq 1 iso 1 dist 5.57621 10.5562 8.74174 4.83527 6.97756 8.1217 numMergedOcc 0
34 mol 241 unq 2 iso 0 dist 8.74174 12.2475 8.28853 8.1217 6.97756 4.77831 numMergedOcc 0
35 mol 241 unq 2 iso 1 dist 8.28853 12.2475 8.74174 4.77831 6.97756 8.1217 numMergedOcc 0
36 mol 241 unq 3 iso 0 dist 8.74174 11.1523 8.71739 8.1217 6.97756 7.76743 numMergedOcc 0
37 mol 241 unq 3 iso 1 dist 8.71739 11.1523 8.74174 7.76743 6.97756 8.1217 numMergedOcc 0
38 mol 241 unq 2 iso 0 dist 5.57621 6.2611 8.28853 4.83527 6.97756 4.77831 numMergedOcc 0
39 mol 241 unq 2 iso 1 dist 8.28853 6.2611 5.57621 4.77831 6.97756 4.83527 numMergedOcc 0
40 mol 241 unq 3 iso 0 dist 5.57621 10.4503 8.71739 4.83527 6.97756 7.76743 numMergedOcc 0
41 mol 241 unq 3 iso 1 dist 8.71739 10.4503 5.57621 7.76743 6.97756 4.83527 numMergedOcc 0
42 mol 241 unq 3 iso 0 dist 8.28853 6.30082 8.71739 4.77831 6.97756 7.76743 numMergedOcc 0
43 mol 241 unq 3 iso 1 dist 8.71739 6.30082 8.28853 7.76743 6.97756 4.77831 numMergedOcc 0
44 mol 277 unq 0 iso 0 dist 6.86014 10.7983 5.97073 13.9287 9.64889 7.94109 numMergedOcc 0
45 mol 277 unq 0 iso 1 dist 5.97073 10.7983 6.86014 7.94109 9.64889 13.9287 numMergedOcc 0
46 mol 277 unq 1 iso 0 dist 6.86014 12.8545 6.49176 13.9287 9.64889 10.815 numMergedOcc 0
47 mol 277 unq 1 iso 1 dist 6.49176 12.8545 6.86014 10.815 9.64889 13.9287 numMergedOcc 0
48 mol 277 unq 1 iso 0 dist 5.97073 5.3634 6.49176 7.94109 9.64889 10.815 numMergedOcc 0
49 mol 277 unq 1 iso 1 dist 6.49176 5.3634 5.97073 10.815 9.64889 7.94109 numMergedOcc 0
