0 mol 0 unq 0 iso 0 dist 7.96742 7.19397 12.7706 6.8892 9.53992 11.5675 10.8652 8.66612 11.894 16.0629 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.96742 7.19397 12.7706 6.8892 9.53992 11.5675 10.8257 8.84413 15.4808 15.6911 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.19397 7.96742 12.7706 6.8892 11.5675 9.53992 6.82018 6.19218 12.962 13.3928 numMergedOcc 0
3 mol 12 unq 0 iso 0 dist 5.9021 8.98466 12.3127 6.6051 4.86727 10.763 6.90032 6.65398 15.7186 10.0413 numMergedOcc 0
4 mol 105 unq 0 iso 0 dist 8.80388 7.28156 4.41267 6.11833 5.89806 6.96209 4.40288 8.8689 9.18139 7.12201 numMergedOcc 0
5 mol 105 unq 1 iso 0 dist 8.8689 9.18139 4.41267 7.12201 5.89806 6.96209 4.40288 8.80388 7.28156 6.11833 numMergedOcc 0
6 mol 105 unq 2 iso 0 dist 7.28156 8.80388 4.41267 6.11833 6.96209 5.89806 4.40288 9.18139 8.8689 7.12201 numMergedOcc 0
7 mol 105 unq 3 iso 0 dist 9.18139 8.8689 4.41267 7.12201 6.96209 5.89806 4.40288 7.28156 8.80388 6.11833 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.6582 5.17734 8.94234 9.23104 12.4825 7.75771 5.13345 7.96689 4.83134 12.0283 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 5.17734 9.6582 8.94234 9.23104 7.75771 12.4825 5.13345 4.83134 7.96689 12.0283 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 5.12189 7.50126 11.0817 9.2759 10.8516 5.35551 10.5053 7.50911 16.3433 14.578 numMergedOcc 0
11 mol 133 unq 3 iso 0 dist 7.50126 5.12189 11.0817 9.2759 5.35551 10.8516 12.1681 9.07294 14.2037 5.79195 numMergedOcc 0
12 mol 223 unq 0 iso 0 dist 9.14789 9.29204 4.44825 6.97426 4.78255 4.73988 9.20811 8.78739 11.4492 11.322 numMergedOcc 0
13 mol 223 unq 1 iso 0 dist 9.14789 9.29204 4.44825 8.87456 5.43913 8.36102 9.20811 8.78739 11.4492 10.7897 numMergedOcc 0
14 mol 223 unq 2 iso 0 dist 9.14789 7.80764 16.2327 6.97426 4.78255 12.6805 9.20811 8.78739 16.1233 11.322 numMergedOcc 0
15 mol 223 unq 3 iso 0 dist 9.14789 7.80764 16.2327 8.87456 5.43913 13.9763 9.20811 8.78739 16.1233 10.7897 numMergedOcc 0
16 mol 223 unq 4 iso 0 dist 9.14789 5.75896 13.5741 6.97426 4.78255 10.6184 9.20811 8.78739 13.9526 11.322 numMergedOcc 0
17 mol 223 unq 5 iso 0 dist 9.14789 5.75896 13.5741 8.87456 5.43913 13.8469 9.20811 8.78739 13.9526 10.7897 numMergedOcc 0
18 mol 223 unq 6 iso 0 dist 7.80764 9.29204 16.0208 6.97426 12.6805 4.73988 7.75335 6.03408 15.8605 11.9062 numMergedOcc 0
19 mol 223 unq 7 iso 0 dist 7.80764 9.29204 16.0208 8.87456 13.9763 8.36102 7.75335 6.03408 15.8605 11.0836 numMergedOcc 0
20 mol 223 unq 8 iso 0 dist 7.80764 9.14789 16.2327 6.97426 12.6805 4.78255 7.75335 6.03408 14.3989 11.9062 numMergedOcc 0
21 mol 223 unq 9 iso 0 dist 7.80764 9.14789 16.2327 8.87456 13.9763 5.43913 7.75335 6.03408 14.3989 11.0836 numMergedOcc 0
22 mol 223 unq 10 iso 0 dist 7.80764 5.75896 7.12929 6.97426 12.6805 10.6184 7.75335 6.03408 10.8794 11.9062 numMergedOcc 0
23 mol 223 unq 11 iso 0 dist 7.80764 5.75896 7.12929 8.87456 13.9763 13.8469 7.75335 6.03408 10.8794 11.0836 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 5.97988 9.37276 8.07582 8.81063 10.0093 4.19878 11.1019 9.08719 16.983 18.5745 numMergedOcc 0
25 mol 245 unq 0 iso 0 dist 6.41862 7.26913 10.9806 9.96585 14.6391 6.25662 9.57831 9.85927 16.7082 17.6481 numMergedOcc 0
26 mol 245 unq 1 iso 0 dist 6.41862 7.26913 10.9806 7.27022 10.1523 4.38291 9.57831 9.85927 16.7082 15.314 numMergedOcc 0
27 mol 245 unq 2 iso 0 dist 6.41862 7.26913 10.9806 7.95061 3.53109 11.8346 9.57831 9.85927 16.7082 10.2635 numMergedOcc 0
28 mol 245 unq 3 iso 0 dist 6.41862 8.69377 6.22658 9.96585 14.6391 17.4904 9.57831 9.85927 12.8794 17.6481 numMergedOcc 0
29 mol 245 unq 4 iso 0 dist 6.41862 8.69377 6.22658 7.27022 10.1523 13.6404 9.57831 9.85927 12.8794 15.314 numMergedOcc 0
30 mol 245 unq 5 iso 0 dist 6.41862 8.69377 6.22658 7.95061 3.53109 9.71014 9.57831 9.85927 12.8794 10.2635 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 4.55368 8.91916 4.70261 8.54422 6.14631 6.40534 6.17736 9.45077 12.6314 13.849 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 4.55368 8.91916 4.70261 7.67473 6.89689 9.57286 6.17736 9.45077 12.6314 13.7646 numMergedOcc 0
33 mol 266 unq 0 iso 0 dist 9.63694 6.58277 15.3443 6.57444 13.1376 5.91091 6.28482 6.91743 12.6551 12.3228 numMergedOcc 0
34 mol 266 unq 1 iso 0 dist 9.63694 6.58277 15.3443 7.9555 14.6225 3.93133 6.28482 6.91743 12.6551 13.7347 numMergedOcc 0
35 mol 266 unq 2 iso 0 dist 6.58277 9.63694 15.3443 6.57444 5.91091 13.1376 6.70676 8.42706 11.475 11.4453 numMergedOcc 0
36 mol 266 unq 3 iso 0 dist 6.58277 9.63694 15.3443 6.57444 5.91091 13.1376 13.1611 8.12204 21.9878 9.39714 numMergedOcc 0
37 mol 266 unq 4 iso 0 dist 6.58277 9.63694 15.3443 7.9555 3.93133 14.6225 6.70676 8.42706 11.475 8.8646 numMergedOcc 0
38 mol 266 unq 5 iso 0 dist 6.58277 9.63694 15.3443 7.9555 3.93133 14.6225 13.1611 8.12204 21.9878 10.1316 numMergedOcc 0
39 mol 266 unq 6 iso 0 dist 8.42706 8.61786 11.4983 8.8646 3.93133 9.94141 6.70676 6.58277 13.8394 7.9555 numMergedOcc 0
40 mol 266 unq 7 iso 0 dist 8.42706 8.61786 11.4983 8.8646 3.93133 9.94141 16.4476 8.12204 18.3029 10.1316 numMergedOcc 0
41 mol 279 unq 0 iso 0 dist 5.78017 8.78203 10.71 8.03486 7.78018 5.38411 6.22487 6.12742 13.8375 12.7328 numMergedOcc 0
42 mol 294 unq 0 iso 0 dist 5.76337 9.39625 4.46072 9.77023 7.87494 11.4878 9.4329 8.60441 6.97558 16.275 numMergedOcc 0
43 mol 294 unq 1 iso 0 dist 9.39625 5.76337 4.46072 9.77023 11.4878 7.87494 9.4329 6.97558 8.60441 16.275 numMergedOcc 0
