0 mol 39 unq 0 iso 0 dist 7.33969 8.70192 6.58458 7.401 6.24515 11.3405 7.45237 4.85203 10.5834 6.47855 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 7.45237 8.70192 10.5834 7.401 6.47855 11.3405 7.33969 4.85203 6.58458 6.24515 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 6.99408 5.94756 4.51883 8.26635 7.21995 10.1089 12.1265 5.79982 9.93374 7.70625 numMergedOcc 0
3 mol 45 unq 1 iso 0 dist 6.99408 5.94756 4.51883 13.4503 9.62637 13.3858 12.1265 5.79982 9.93374 6.01423 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 8.89374 8.96727 14.6599 5.49591 9.11258 9.01564 12.7237 13.9773 10.7557 7.6481 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 8.89374 8.01308 9.47022 5.49591 9.11258 7.11065 12.7237 13.9773 9.1083 7.6481 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 5.81965 8.3773 7.94489 9.50382 5.39745 9.92987 10.6071 5.06359 9.09983 6.72712 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 6.73814 5.7144 4.81369 13.7032 9.83981 13.8288 11.8516 5.74742 10.2535 6.13559 numMergedOcc 0
8 mol 114 unq 1 iso 0 dist 6.73814 5.7144 4.81369 13.7032 9.83981 13.8288 17.4431 12.0339 15.3737 6.51395 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 8.79571 7.21868 5.67107 4.57832 8.73604 9.0176 11.2292 9.57049 9.48887 8.55616 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 5.42582 9.33924 6.0991 5.29786 8.73604 12.2587 10.9613 9.57049 11.1029 8.55616 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 5.42582 7.93372 5.67107 5.29786 8.73604 9.0176 10.9613 9.57049 9.48887 8.55616 numMergedOcc 0
12 mol 155 unq 0 iso 0 dist 9.14392 8.97626 12.0485 6.89781 9.0529 9.24038 7.51198 7.63368 4.48516 7.55196 numMergedOcc 0
13 mol 155 unq 1 iso 0 dist 7.51198 8.97626 4.48516 6.89781 7.55196 9.24038 9.14392 7.63368 12.0485 9.0529 numMergedOcc 0
14 mol 175 unq 0 iso 0 dist 9.52634 9.63417 4.14392 6.77832 8.99988 10.5288 11.8821 6.79946 8.85399 6.99693 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 7.98142 6.64173 4.48306 5.63555 5.97685 8.12266 7.37327 6.46849 4.88823 8.9289 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 7.98142 9.01624 12.2513 5.63555 5.97685 10.5303 7.37327 6.46849 14.8923 8.9289 numMergedOcc 0
17 mol 181 unq 2 iso 0 dist 7.98142 9.55105 10.2172 5.63555 5.97685 9.43306 7.37327 6.46849 14.2334 8.9289 numMergedOcc 0
18 mol 181 unq 3 iso 0 dist 7.37327 6.64173 4.88823 5.63555 8.9289 8.12266 7.98142 6.46849 4.48306 5.97685 numMergedOcc 0
19 mol 181 unq 4 iso 0 dist 7.37327 9.01624 14.8923 5.63555 8.9289 10.5303 7.98142 6.46849 12.2513 5.97685 numMergedOcc 0
20 mol 181 unq 5 iso 0 dist 7.37327 9.55105 14.2334 5.63555 8.9289 9.43306 7.98142 6.46849 10.2172 5.97685 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 9.5707 7.81215 11.8229 10.0059 7.43663 7.77911 10.475 9.35875 6.45373 7.94068 numMergedOcc 0
22 mol 234 unq 1 iso 0 dist 9.39181 5.64285 6.45373 5.08515 7.94068 7.77911 11.8897 9.35875 11.8229 7.43663 numMergedOcc 0
23 mol 234 unq 2 iso 0 dist 9.39181 5.64285 6.45373 12.6661 7.22019 12.6164 16.1792 9.51353 14.2381 9.25517 numMergedOcc 0
