0 mol 21 unq 0 iso 0 dist 7.31253 5.38502 6.72231 8.7443 4.71732 5.92388 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.02004 13.2553 6.04551 20.1915 13.0811 7.49794 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 6.35042 5.28841 6.04551 11.3165 13.0811 7.49794 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 7.77714 13.11 6.01454 16.4592 9.12054 5.43913 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 7.77714 13.11 6.01454 20.7322 13.688 8.26877 numMergedOcc 0
5 mol 48 unq 4 iso 0 dist 6.46118 4.99432 6.01454 9.48328 9.12054 5.43913 numMergedOcc 0
6 mol 48 unq 5 iso 0 dist 6.46118 4.99432 6.01454 11.5119 13.688 8.26877 numMergedOcc 0
7 mol 126 unq 0 iso 0 dist 9.50807 9.15449 7.25133 11.2765 4.32945 5.78493 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 8.12739 9.30712 6.03184 14.6392 9.57126 8.06007 numMergedOcc 0
9 mol 184 unq 0 iso 0 dist 8.57284 9.73725 9.45847 16.2896 15.8504 8.5544 numMergedOcc 0
10 mol 184 unq 1 iso 0 dist 5.34832 12.6902 9.45847 20.0449 15.8504 8.5544 numMergedOcc 0
11 mol 198 unq 0 iso 0 dist 7.2078 7.26405 4.58291 13.5491 6.52619 7.94413 numMergedOcc 0
12 mol 210 unq 0 iso 0 dist 8.14413 9.89233 6.41444 8.20259 5.30972 7.95917 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 6.86905 5.98533 5.33462 9.31268 4.51854 8.62485 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 6.86905 5.98533 5.33462 11.8771 5.3726 9.37688 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 5.69868 5.77901 6.00654 5.91094 6.94281 7.24545 numMergedOcc 0
16 mol 239 unq 1 iso 0 dist 7.90449 5.28237 5.38325 5.79883 7.07666 5.19729 numMergedOcc 0
17 mol 253 unq 0 iso 0 dist 8.08789 7.41755 9.58767 12.9434 7.64377 9.31626 numMergedOcc 0
18 mol 253 unq 1 iso 0 dist 8.08789 7.41755 9.58767 11.5254 4.87368 9.77366 numMergedOcc 0
19 mol 254 unq 0 iso 0 dist 7.80528 5.21462 9.36171 8.46816 7.04725 7.02613 numMergedOcc 0
20 mol 254 unq 1 iso 0 dist 7.80528 5.21462 9.36171 12.2632 13.2196 8.95185 numMergedOcc 0
21 mol 254 unq 2 iso 0 dist 7.80528 8.99739 7.53352 15.8963 9.97794 8.30975 numMergedOcc 0
22 mol 254 unq 3 iso 0 dist 7.80528 8.99739 7.53352 14.8378 9.08435 8.10036 numMergedOcc 0
23 mol 254 unq 4 iso 0 dist 7.80528 8.99739 7.53352 12.2632 13.2196 8.96529 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 7.42888 5.83092 8.97411 4.98907 8.9947 5.94328 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 6.55208 7.94063 9.77392 13.3819 16.2409 6.48382 numMergedOcc 0
26 mol 266 unq 1 iso 0 dist 7.17562 11.4849 9.77392 17.037 16.2409 6.48382 numMergedOcc 0
27 mol 280 unq 0 iso 0 dist 8.51073 8.24036 7.02503 8.6212 3.76721 7.00616 numMergedOcc 0
28 mol 280 unq 1 iso 0 dist 8.51073 14.358 9.18164 8.6212 3.76721 9.19653 numMergedOcc 0
29 mol 285 unq 0 iso 0 dist 7.72733 6.85219 8.63954 10.688 10.0892 6.07843 numMergedOcc 0
30 mol 285 unq 1 iso 0 dist 7.72733 6.85219 8.63954 15.3481 16.8309 9.66678 numMergedOcc 0
31 mol 285 unq 2 iso 0 dist 7.2491 6.85219 4.74716 10.688 3.97296 6.07843 numMergedOcc 0
32 mol 285 unq 3 iso 0 dist 7.2491 6.85219 4.74716 15.3481 10.6606 9.66678 numMergedOcc 0
