0 mol 8 unq 0 iso 0 dist 6.82379 7.92414 10.9776 4.94497 8.77457 12.3285 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 4.79949 7.27693 5.82816 4.3931 6.66954 11.1126 numMergedOcc 0
2 mol 76 unq 1 iso 0 dist 7.27693 4.79949 5.82816 6.45686 9.75201 10.489 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 7.12017 9.00544 10.6713 9.75737 9.5669 12.2657 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 7.99623 6.98934 4.68039 7.45148 9.9151 11.9591 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 8.71039 6.92648 8.59447 7.92788 8.92828 5.44303 numMergedOcc 0
6 mol 131 unq 1 iso 0 dist 8.71039 6.92648 8.59447 8.23791 5.56627 8.50562 numMergedOcc 0
7 mol 131 unq 2 iso 0 dist 6.92648 8.71039 8.59447 7.92788 5.44303 8.92828 numMergedOcc 0
8 mol 131 unq 3 iso 0 dist 6.92648 8.71039 8.59447 8.23791 8.50562 5.56627 numMergedOcc 0
9 mol 156 unq 0 iso 0 dist 5.38091 7.73169 11.9157 5.81563 7.46845 12.9107 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 7.35824 5.4969 8.63478 11.8693 5.89564 13.461 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 7.35824 5.4969 8.63478 6.77832 5.60528 10.791 numMergedOcc 0
12 mol 175 unq 2 iso 0 dist 7.35824 6.4318 6.77843 11.8693 5.89564 12.6662 numMergedOcc 0
13 mol 175 unq 3 iso 0 dist 7.35824 6.4318 6.77843 6.77832 5.60528 10.2009 numMergedOcc 0
14 mol 175 unq 4 iso 0 dist 7.35824 9.17364 7.07861 11.8693 5.89564 9.28409 numMergedOcc 0
15 mol 175 unq 5 iso 0 dist 7.35824 9.17364 7.07861 6.77832 5.60528 5.5995 numMergedOcc 0
16 mol 175 unq 6 iso 0 dist 9.17364 5.4969 13.3054 6.77832 5.5995 10.791 numMergedOcc 0
17 mol 175 unq 7 iso 0 dist 9.17364 6.4318 10.0636 6.77832 5.5995 10.2009 numMergedOcc 0
18 mol 175 unq 8 iso 0 dist 9.17364 7.35824 7.07861 6.77832 5.5995 5.60528 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 9.83476 6.258 13.2879 10.5063 4.5271 14.8067 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 9.83476 6.258 13.2879 14.4429 7.02575 19.3705 numMergedOcc 0
21 mol 196 unq 0 iso 0 dist 8.20691 5.85777 12.3557 8.61276 8.57986 14.3834 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 6.29367 8.86175 11.2353 4.92618 8.3087 9.32945 numMergedOcc 0
23 mol 218 unq 1 iso 0 dist 8.86175 6.29367 11.2353 4.92618 9.32945 8.3087 numMergedOcc 0
24 mol 218 unq 2 iso 0 dist 5.76954 8.06216 6.73047 7.84019 8.3087 13.8827 numMergedOcc 0
25 mol 218 unq 3 iso 0 dist 5.76954 6.29511 11.2353 7.84019 8.3087 9.32945 numMergedOcc 0
26 mol 218 unq 4 iso 0 dist 6.29511 8.06216 12.255 7.84019 9.32945 13.8827 numMergedOcc 0
27 mol 218 unq 5 iso 0 dist 6.29511 5.76954 11.2353 7.84019 9.32945 8.3087 numMergedOcc 0
28 mol 220 unq 0 iso 0 dist 5.45036 9.97586 11.5418 7.11498 5.37796 15.9038 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 7.99477 7.86627 7.46428 13.2927 9.91199 16.6436 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 9.56685 8.49922 7.56905 5.29529 8.2997 10.4781 numMergedOcc 0
