0 mol 25 unq 0 iso 0 dist 5.99176 7.11047 6.85556 9.90392 5.68392 6.03987 14.5094 11.3646 8.4666 5.81959 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 6.98583 10.7715 6.85556 10.9818 5.68392 6.03987 16.0911 11.3646 8.4666 5.81959 numMergedOcc 0
2 mol 119 unq 0 iso 0 dist 7.89317 8.82375 9.23858 13.0414 9.89358 8.73993 6.3404 7.91683 3.78311 7.77116 numMergedOcc 0
3 mol 129 unq 0 iso 0 dist 6.52844 6.13737 6.28565 8.59695 4.55551 5.83384 7.36759 9.94578 6.67948 8.03372 numMergedOcc 0
4 mol 129 unq 1 iso 0 dist 9.7113 11.462 7.58957 16.0274 10.5488 5.83384 16.9504 13.9747 6.67948 8.03372 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 8.809 10.6249 9.90168 14.5781 7.7567 8.40312 5.96574 5.56627 5.89022 8.86329 numMergedOcc 0
6 mol 131 unq 1 iso 0 dist 8.809 10.6249 9.90168 13.4587 8.23791 7.12972 5.96574 5.56627 5.89022 8.71039 numMergedOcc 0
7 mol 131 unq 2 iso 0 dist 8.809 10.6249 9.90168 13.4587 8.23791 7.12972 10.0225 8.50562 9.32969 6.92648 numMergedOcc 0
8 mol 131 unq 3 iso 0 dist 8.809 10.6249 9.90168 15.5814 13.7237 6.85062 10.0225 8.50562 9.32969 9.29384 numMergedOcc 0
9 mol 156 unq 0 iso 0 dist 8.75305 10.6289 7.30357 16.6877 10.4977 8.34702 16.76 13.0899 6.44255 9.43259 numMergedOcc 0
10 mol 156 unq 1 iso 0 dist 8.75305 10.6289 7.30357 16.6877 10.4977 8.34702 16.2846 10.6589 5.82636 6.2319 numMergedOcc 0
11 mol 156 unq 2 iso 0 dist 8.75305 10.6289 7.30357 15.1262 12.3086 9.06726 16.2846 10.6589 5.82636 9.97732 numMergedOcc 0
12 mol 156 unq 3 iso 0 dist 5.13522 10.6289 8.61587 16.6877 12.4274 8.34702 16.76 14.9434 6.44255 9.43259 numMergedOcc 0
13 mol 156 unq 4 iso 0 dist 5.13522 10.6289 8.61587 16.6877 12.4274 8.34702 16.2846 13.5954 5.82636 6.2319 numMergedOcc 0
14 mol 156 unq 5 iso 0 dist 5.13522 10.6289 8.61587 15.1262 10.9151 9.06726 16.2846 13.5954 5.82636 9.97732 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 7.59757 10.2677 7.32294 9.44947 5.86489 8.51516 4.80028 5.91727 5.74707 6.85441 numMergedOcc 0
16 mol 209 unq 0 iso 0 dist 8.64079 7.61997 6.85935 13.2724 6.552 7.56373 7.48645 7.97418 4.90038 8.41195 numMergedOcc 0
17 mol 209 unq 1 iso 0 dist 8.76128 8.42394 6.85935 9.62543 6.552 7.56373 3.88024 7.97418 4.90038 8.41195 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 4.54224 6.29733 6.59716 10.2501 7.11498 9.23153 5.88269 5.37796 6.17628 5.45036 numMergedOcc 0
19 mol 220 unq 1 iso 0 dist 4.54224 6.29733 6.59716 10.2501 7.11498 9.23153 17.2208 15.9038 14.0253 9.97586 numMergedOcc 0
20 mol 229 unq 0 iso 0 dist 8.70049 8.43758 8.66332 13.4233 6.65022 8.22528 18.2553 13.9637 11.6847 8.92743 numMergedOcc 0
21 mol 229 unq 1 iso 0 dist 9.55385 5.88282 8.66332 12.1268 6.65022 8.22528 17.4318 13.9637 11.6847 8.92743 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 7.87648 5.38982 7.21311 10.5395 5.63675 6.60405 10.2978 12.3072 6.6525 9.53063 numMergedOcc 0
