0 mol 16 unq 0 iso 0 dist 7.03948 6.42835 9.87867 6.57331 4.68733 6.09368 5.30082 11.7521 5.94982 10.0132 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 8.89374 8.96727 14.6599 8.01308 9.47022 6.20884 5.49591 9.11258 9.01564 7.11065 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 8.89374 8.01308 9.47022 8.96727 14.6599 6.20884 5.49591 9.11258 7.11065 9.01564 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 7.321 9.55118 6.74416 9.10345 5.63793 9.20237 11.6378 13.1462 7.58875 14.0067 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 4.65521 8.68662 6.10063 7.4369 6.15714 3.30399 6.56633 7.10439 8.96616 6.14542 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 4.65521 7.4369 6.15714 8.68662 6.10063 3.30399 6.56633 7.10439 6.14542 8.96616 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 5.42582 7.93372 5.67107 9.33924 6.0991 11.4107 5.29786 8.73604 9.0176 12.2587 numMergedOcc 0
7 mol 134 unq 1 iso 0 dist 8.94837 9.00918 5.58312 7.99477 9.61537 4.87973 14.2198 6.93279 7.83568 12.0743 numMergedOcc 0
8 mol 167 unq 0 iso 0 dist 8.62646 7.02548 6.24722 7.20495 4.15547 6.81449 7.08726 13.8262 8.86449 12.89 numMergedOcc 0
9 mol 167 unq 1 iso 0 dist 8.62646 7.02548 6.24722 9.2289 7.0046 3.55199 7.08726 13.8262 8.86449 10.4753 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 7.98142 6.64173 4.48306 9.01624 12.2513 11.196 5.63555 5.97685 8.12266 10.5303 numMergedOcc 0
11 mol 181 unq 1 iso 0 dist 7.98142 6.64173 4.48306 9.55105 10.2172 10.1041 5.63555 5.97685 8.12266 9.43306 numMergedOcc 0
12 mol 181 unq 2 iso 0 dist 7.98142 9.01624 12.2513 6.64173 4.48306 11.196 7.20191 13.5221 5.99437 12.6232 numMergedOcc 0
13 mol 181 unq 3 iso 0 dist 7.98142 9.01624 12.2513 9.55105 10.2172 3.55187 7.20191 13.5221 5.99437 8.4848 numMergedOcc 0
14 mol 181 unq 4 iso 0 dist 7.98142 9.55105 10.2172 6.64173 4.48306 10.1041 5.63555 5.97685 9.43306 8.12266 numMergedOcc 0
15 mol 181 unq 5 iso 0 dist 7.98142 9.55105 10.2172 6.64173 4.48306 10.1041 7.20191 13.5221 8.4848 12.6232 numMergedOcc 0
16 mol 181 unq 6 iso 0 dist 7.98142 9.55105 10.2172 9.01624 12.2513 3.55187 5.63555 5.97685 9.43306 10.5303 numMergedOcc 0
17 mol 181 unq 7 iso 0 dist 7.98142 9.55105 10.2172 9.01624 12.2513 3.55187 7.20191 13.5221 8.4848 5.99437 numMergedOcc 0
18 mol 181 unq 8 iso 0 dist 7.37327 6.64173 4.88823 9.01624 14.8923 11.196 5.63555 8.9289 8.12266 10.5303 numMergedOcc 0
19 mol 181 unq 9 iso 0 dist 7.37327 6.64173 4.88823 9.55105 14.2334 10.1041 5.63555 8.9289 8.12266 9.43306 numMergedOcc 0
20 mol 181 unq 10 iso 0 dist 7.37327 9.01624 14.8923 6.64173 4.88823 11.196 7.20191 14.5372 5.99437 12.6232 numMergedOcc 0
21 mol 181 unq 11 iso 0 dist 7.37327 9.01624 14.8923 9.55105 14.2334 3.55187 7.20191 14.5372 5.99437 8.4848 numMergedOcc 0
22 mol 181 unq 12 iso 0 dist 7.37327 9.55105 14.2334 6.64173 4.88823 10.1041 5.63555 8.9289 9.43306 8.12266 numMergedOcc 0
23 mol 181 unq 13 iso 0 dist 7.37327 9.55105 14.2334 6.64173 4.88823 10.1041 7.20191 14.5372 8.4848 12.6232 numMergedOcc 0
24 mol 181 unq 14 iso 0 dist 7.37327 9.55105 14.2334 9.01624 14.8923 3.55187 5.63555 8.9289 9.43306 10.5303 numMergedOcc 0
25 mol 181 unq 15 iso 0 dist 7.37327 9.55105 14.2334 9.01624 14.8923 3.55187 7.20191 14.5372 8.4848 5.99437 numMergedOcc 0
26 mol 184 unq 0 iso 0 dist 9.52936 5.96423 11.6883 8.97589 9.68365 5.33725 8.08596 12.1114 7.58375 10.6375 numMergedOcc 0
27 mol 188 unq 0 iso 0 dist 6.90541 7.88013 6.39872 9.90062 8.81694 3.68927 8.77113 11.4648 8.66624 11.5018 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 6.98084 8.19317 4.47008 6.29377 7.34601 4.8835 6.82855 7.31773 8.97952 10.1845 numMergedOcc 0
29 mol 235 unq 1 iso 0 dist 7.32211 5.1823 4.47008 5.70635 7.34601 4.8835 6.46722 7.31773 8.97952 10.1845 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 6.50589 9.30212 15.0646 6.4611 5.70568 13.5848 9.5468 12.6896 7.77765 9.65868 numMergedOcc 0
31 mol 274 unq 1 iso 0 dist 6.50589 6.4611 5.70568 9.30212 15.0646 13.5848 9.5468 12.6896 9.65868 7.77765 numMergedOcc 0
32 mol 274 unq 2 iso 0 dist 6.50589 6.4611 5.70568 9.30212 15.0646 13.5848 6.70925 11.838 8.60027 10.0206 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 9.41725 8.9682 18.3854 9.35539 7.07508 16.9644 7.70529 14.3284 9.26157 12.9467 numMergedOcc 0
34 mol 277 unq 1 iso 0 dist 9.41725 8.9682 18.3854 6.92711 16.1088 3.39114 7.70529 14.3284 9.26157 9.11117 numMergedOcc 0
