0 mol 11 unq 0 iso 0 dist 5.8689 5.56531 4.13124 10.9407 9.36555 13.1846 numMergedOcc 0
1 mol 21 unq 0 iso 0 dist 7.31253 8.7443 4.71732 5.38502 6.72231 5.92388 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.02004 9.90731 9.41295 13.2553 6.04551 13.8009 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 7.77714 6.77802 6.38985 13.11 6.01454 11.8063 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 6.46118 9.48328 9.12054 4.99432 6.01454 5.43913 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 8.85511 7.31881 5.97155 10.6994 9.22636 13.471 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 5.05141 8.51084 10.3018 10.2176 8.83191 18.046 numMergedOcc 0
7 mol 111 unq 1 iso 0 dist 5.05141 5.53271 4.88926 10.2176 8.83191 12.5912 numMergedOcc 0
8 mol 158 unq 0 iso 0 dist 9.83634 6.51748 15.7254 11.799 7.07348 16.547 numMergedOcc 0
9 mol 165 unq 0 iso 0 dist 6.35749 9.43781 11.3114 9.92656 8.64349 18.294 numMergedOcc 0
10 mol 165 unq 1 iso 0 dist 6.35749 7.84854 9.38939 9.92656 8.64349 13.2322 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 8.14413 8.20259 5.30972 12.3207 6.24111 11.0228 numMergedOcc 0
12 mol 210 unq 1 iso 0 dist 8.14413 8.20259 5.30972 12.2935 9.00343 13.9768 numMergedOcc 0
13 mol 210 unq 2 iso 0 dist 8.14413 8.20259 5.30972 9.89233 6.41444 7.95917 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 6.86905 9.31268 4.51854 5.98533 5.33462 8.62485 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 5.69868 5.91094 6.94281 5.77901 6.00654 7.24545 numMergedOcc 0
16 mol 239 unq 1 iso 0 dist 7.90449 7.45508 14.793 5.28237 5.38325 12.203 numMergedOcc 0
17 mol 239 unq 2 iso 0 dist 7.90449 5.79883 7.07666 5.28237 5.38325 5.19729 numMergedOcc 0
18 mol 254 unq 0 iso 0 dist 7.80528 8.46816 7.04725 5.21462 9.36171 7.02613 numMergedOcc 0
19 mol 254 unq 1 iso 0 dist 7.80528 8.46816 7.04725 14.0901 9.75152 12.3503 numMergedOcc 0
20 mol 254 unq 2 iso 0 dist 7.80528 8.46816 7.04725 9.41515 6.76462 10.3813 numMergedOcc 0
21 mol 254 unq 3 iso 0 dist 7.80528 8.46816 7.04725 6.45267 9.03739 11.6398 numMergedOcc 0
22 mol 254 unq 4 iso 0 dist 7.80528 8.46816 7.04725 8.99739 7.53352 12.2956 numMergedOcc 0
23 mol 257 unq 0 iso 0 dist 8.42116 9.79593 7.56859 15.8732 8.98346 14.8313 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 7.42888 4.98907 8.9947 5.83092 8.97411 5.94328 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 6.55208 9.2684 10.1478 7.94063 9.77392 14.2079 numMergedOcc 0
26 mol 280 unq 0 iso 0 dist 8.51073 8.6212 3.76721 8.24036 7.02503 7.00616 numMergedOcc 0
27 mol 280 unq 1 iso 0 dist 8.51073 8.6212 3.76721 14.358 9.18164 9.19653 numMergedOcc 0
28 mol 280 unq 2 iso 0 dist 6.30852 8.6212 8.33181 8.34793 9.05509 12.4223 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 4.28058 8.4625 7.24849 4.76371 4.49185 9.52694 numMergedOcc 0
30 mol 287 unq 1 iso 0 dist 4.28058 8.4625 7.24849 4.71587 7.22938 12.7197 numMergedOcc 0
31 mol 287 unq 2 iso 0 dist 4.28058 8.4625 7.24849 6.95569 9.94176 15.117 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 4.28058 8.4625 7.24849 4.76371 4.49185 9.52694 numMergedOcc 0
33 mol 288 unq 1 iso 0 dist 4.28058 8.4625 7.24849 4.71587 7.22938 12.7197 numMergedOcc 0
34 mol 288 unq 2 iso 0 dist 4.28058 8.4625 7.24849 6.95569 9.94176 15.117 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 4.28058 8.4625 7.24849 4.76371 4.49185 9.52694 numMergedOcc 0
36 mol 289 unq 1 iso 0 dist 4.28058 8.4625 7.24849 4.71587 7.22938 12.7197 numMergedOcc 0
37 mol 289 unq 2 iso 0 dist 4.28058 8.4625 7.24849 6.95569 9.94176 15.117 numMergedOcc 0
38 mol 294 unq 0 iso 0 dist 5.47073 7.58948 9.78727 5.29391 5.76337 12.5467 numMergedOcc 0
39 mol 294 unq 1 iso 0 dist 5.47073 7.58948 9.78727 12.3563 8.60441 17.9486 numMergedOcc 0
