0 mol 9 unq 0 iso 0 dist 8.57077 6.85412 8.27962 5.84314 5.8245 9.71516 9.78006 3.98483 7.98363 7.05919 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.57077 6.33889 11.4878 5.84314 5.8245 9.81658 9.78006 3.98483 10.4204 7.05919 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 9.75144 5.39241 5.69214 7.95042 11.8884 10.7114 6.58998 11.3767 8.24948 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.80331 9.83618 10.4442 5.41726 6.6263 13.07 10.0649 7.05402 13.0676 7.15901 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 6.20293 9.83618 9.49077 5.41726 6.75943 13.07 10.0649 5.48048 13.0676 7.15901 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 6.64012 6.46761 5.24906 4.00553 9.08221 10.1478 7.27383 6.37648 9.17656 6.87028 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 6.64012 7.58407 5.11205 4.00553 9.08221 10.7327 7.27383 6.37648 10.8775 6.87028 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 9.4099 9.73139 5.24906 8.55984 9.08221 10.1478 12.5444 6.37648 9.17656 6.87028 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 9.4099 6.31428 5.11205 8.55984 9.08221 10.7327 12.5444 6.37648 10.8775 6.87028 numMergedOcc 0
9 mol 88 unq 0 iso 0 dist 9.36773 9.2603 6.95868 12.1193 7.80898 12.9048 12.1018 5.31226 6.27896 8.72458 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 9.33898 8.36431 10.9701 4.3481 7.06939 10.5758 6.61823 6.08245 10.4141 6.9223 numMergedOcc 0
11 mol 92 unq 1 iso 0 dist 9.33898 8.36431 10.9701 4.3481 7.06939 10.5758 6.49956 6.86728 4.36639 7.0561 numMergedOcc 0
12 mol 92 unq 2 iso 0 dist 9.64443 8.36431 12.4284 5.31547 9.36001 13.3865 6.61823 7.24315 10.4141 6.98037 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 7.30858 8.66155 11.3902 5.03039 6.04595 13.0432 5.72642 5.61704 5.87507 8.4965 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 9.68677 7.64052 9.08536 7.77116 3.78311 8.96522 9.57341 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 9.87172 9.38288 11.7228 6.20019 6.99446 12.4009 13.1741 4.99056 16.5148 9.57341 numMergedOcc 0
16 mol 119 unq 2 iso 0 dist 9.87172 6.19042 6.35763 6.20019 6.99446 6.13374 13.1741 4.99056 11.1324 9.57341 numMergedOcc 0
17 mol 119 unq 3 iso 0 dist 9.87172 7.44174 7.36192 6.20019 6.99446 9.08536 13.1741 4.99056 8.96522 9.57341 numMergedOcc 0
18 mol 119 unq 4 iso 0 dist 6.18601 9.80862 9.35964 4.39676 8.95212 9.56225 12.6868 13.52 14.4913 9.57341 numMergedOcc 0
19 mol 119 unq 5 iso 0 dist 6.18601 8.43904 10.3457 4.39676 8.95212 6.13374 12.6868 13.52 11.1324 9.57341 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 8.94367 8.79571 5.41704 7.41373 9.33094 11.7151 8.20836 9.4027 9.65798 5.11043 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 6.37586 5.42582 5.41704 10.8635 9.33094 11.7151 10.873 9.4027 9.65798 5.11043 numMergedOcc 0
22 mol 134 unq 2 iso 0 dist 6.49416 8.6355 5.41704 12.3479 9.33094 11.7151 13.846 9.4027 9.65798 5.11043 numMergedOcc 0
23 mol 134 unq 3 iso 0 dist 9.86662 8.79571 6.17103 12.8086 9.1998 14.0978 8.20836 5.12325 9.65798 6.99345 numMergedOcc 0
24 mol 134 unq 4 iso 0 dist 9.86662 8.79571 6.17103 7.41373 8.69531 11.7151 8.20836 5.12325 9.65798 5.11043 numMergedOcc 0
25 mol 134 unq 5 iso 0 dist 9.71307 5.42582 6.17103 15.0225 9.1998 14.0978 10.873 5.12325 9.65798 6.99345 numMergedOcc 0
26 mol 134 unq 6 iso 0 dist 9.71307 5.42582 6.17103 10.8635 8.69531 11.7151 10.873 5.12325 9.65798 5.11043 numMergedOcc 0
27 mol 152 unq 0 iso 0 dist 8.56324 9.13561 5.99333 5.39112 6.59889 10.5081 10.4911 7.2238 10.7604 7.1069 numMergedOcc 0
28 mol 152 unq 1 iso 0 dist 6.70283 9.13561 8.25411 5.39112 6.70693 10.5081 10.4911 5.59336 10.7604 7.1069 numMergedOcc 0
29 mol 178 unq 0 iso 0 dist 6.69288 8.96511 10.5783 6.42973 7.06025 12.6109 4.92088 10.1489 7.07052 8.25282 numMergedOcc 0
30 mol 222 unq 0 iso 0 dist 7.54212 7.18956 7.61682 12.8595 6.74196 14.2305 12.5287 6.42798 11.8794 7.97027 numMergedOcc 0
31 mol 222 unq 1 iso 0 dist 7.54212 7.18956 7.61682 12.5866 8.36842 14.562 12.5287 6.42798 11.8794 4.9876 numMergedOcc 0
32 mol 224 unq 0 iso 0 dist 6.61986 8.19953 10.7113 5.13732 8.08349 5.73591 8.37597 4.59567 8.5129 8.54702 numMergedOcc 0
