0 mol 7 unq 0 iso 0 dist 6.8464 11.4481 7.88043 9.85147 5.99972 7.25346 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.8464 13.9708 8.80762 9.85147 5.99972 10.0658 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 5.68648 4.95703 7.92414 9.35502 7.03958 8.07902 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 5.68648 9.55219 6.82379 9.35502 7.03958 5.65816 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 5.52992 9.54828 8.00177 4.61383 8.83487 11.6774 numMergedOcc 0
5 mol 65 unq 0 iso 0 dist 9.16749 6.18352 5.69971 5.82003 7.90294 6.00418 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.67557 7.39648 7.33422 13.5302 7.54568 6.85215 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 7.11695 10.9332 6.61823 4.92054 8.91313 14.4996 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 7.11695 10.9332 6.61823 6.7197 8.16392 6.90324 numMergedOcc 0
9 mol 92 unq 2 iso 0 dist 7.11695 8.98815 6.49956 4.92054 8.91313 12.0757 numMergedOcc 0
10 mol 92 unq 3 iso 0 dist 7.11695 8.98815 6.49956 6.7197 8.16392 7.64508 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 9.41191 4.70745 5.34214 13.7792 7.80523 10.8469 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 8.59695 7.36759 8.03372 7.72162 9.36851 6.84211 numMergedOcc 0
13 mol 129 unq 1 iso 0 dist 8.59695 7.36759 8.03372 7.95267 4.97175 4.53459 numMergedOcc 0
14 mol 129 unq 2 iso 0 dist 6.42706 7.79894 8.03372 13.0193 9.36851 6.84211 numMergedOcc 0
15 mol 129 unq 3 iso 0 dist 6.42706 7.79894 8.03372 8.03693 4.97175 4.53459 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 8.97762 6.3168 6.76699 11.4871 6.16242 9.34112 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 8.86784 6.20072 5.53031 12.3839 7.80532 8.98004 numMergedOcc 0
18 mol 163 unq 0 iso 0 dist 8.32426 10.2408 8.38738 3.7064 9.07943 8.55624 numMergedOcc 0
19 mol 170 unq 0 iso 0 dist 9.32245 11.0716 8.15099 4.11212 6.35982 7.29587 numMergedOcc 0
20 mol 170 unq 1 iso 0 dist 9.32245 11.0716 8.15099 9.2613 7.51126 8.73585 numMergedOcc 0
21 mol 195 unq 0 iso 0 dist 7.04524 4.52076 7.62942 8.71774 9.26504 6.0634 numMergedOcc 0
22 mol 204 unq 0 iso 0 dist 9.44947 4.80028 6.85441 4.29037 9.68728 5.42649 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 7.51951 6.95682 5.60393 7.56138 5.44002 8.46033 numMergedOcc 0
24 mol 206 unq 0 iso 0 dist 8.95375 11.157 8.70977 11.6019 7.75885 10.7023 numMergedOcc 0
25 mol 206 unq 1 iso 0 dist 9.29007 7.41593 8.70977 6.64436 7.75885 10.7023 numMergedOcc 0
26 mol 210 unq 0 iso 0 dist 6.13878 9.83001 5.37446 9.94073 7.10826 7.1777 numMergedOcc 0
27 mol 222 unq 0 iso 0 dist 6.77368 6.00427 8.48341 6.49768 9.07471 7.92402 numMergedOcc 0
28 mol 222 unq 1 iso 0 dist 7.73634 10.8503 8.48341 10.3035 9.07471 7.92402 numMergedOcc 0
29 mol 234 unq 0 iso 0 dist 5.46736 9.52353 8.24186 6.30638 9.81425 9.68666 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 8.6771 6.60696 6.66971 6.12869 7.57812 4.77308 numMergedOcc 0
31 mol 238 unq 1 iso 0 dist 8.6771 6.60696 6.66971 9.81372 8.69104 10.2777 numMergedOcc 0
32 mol 258 unq 0 iso 0 dist 7.69358 11.2853 8.15467 10.4922 7.6595 6.05037 numMergedOcc 0
33 mol 258 unq 1 iso 0 dist 7.57187 11.2853 9.1925 12.7787 9.63959 4.22544 numMergedOcc 0
34 mol 278 unq 0 iso 0 dist 6.84604 5.02589 7.67245 10.7698 6.62841 13.537 numMergedOcc 0
