0 mol 45 unq 0 iso 0 dist 7.06308 9.01651 8.59109 10.862 8.70414 5.55096 5.48601 9.43442 5.54436 9.53378 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 6.34173 6.89191 8.59109 10.6216 8.70414 5.55096 5.101 9.43442 5.54436 9.53378 numMergedOcc 0
2 mol 45 unq 2 iso 0 dist 6.99408 7.39653 8.13782 9.49841 6.39184 5.55096 11.3176 11.2545 5.54436 9.53378 numMergedOcc 0
3 mol 45 unq 3 iso 0 dist 9.3403 10.6095 8.13782 13.505 6.39184 5.55096 11.7414 11.2545 5.54436 9.53378 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 9.33535 6.78077 8.80108 13.2397 10.8421 8.71468 7.08557 8.26899 6.75888 7.21955 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 6.73814 12.1324 9.86739 9.39063 6.76585 8.809 14.154 10.6048 5.31367 6.84011 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 6.73814 6.95201 8.39249 9.39063 6.76585 5.79343 14.154 10.6048 8.88748 6.84011 numMergedOcc 0
7 mol 155 unq 0 iso 0 dist 9.17284 6.3845 6.51096 10.9606 7.6506 9.0529 10.6882 9.87281 5.48883 8.69157 numMergedOcc 0
8 mol 155 unq 1 iso 0 dist 9.17284 6.3845 6.51096 10.9606 7.6506 9.0529 10.7349 12.0728 9.36596 6.53347 numMergedOcc 0
9 mol 155 unq 2 iso 0 dist 9.87281 5.48883 6.51096 8.69157 7.6506 9.0529 7.01918 12.0728 9.36596 6.53347 numMergedOcc 0
10 mol 155 unq 3 iso 0 dist 8.87452 5.77564 6.51096 10.8572 7.6506 9.0529 4.66274 9.87281 5.48883 8.69157 numMergedOcc 0
11 mol 155 unq 4 iso 0 dist 8.87452 5.77564 6.51096 10.8572 7.6506 9.0529 11.353 12.0728 9.36596 6.53347 numMergedOcc 0
12 mol 155 unq 5 iso 0 dist 7.39644 5.40375 7.37901 11.1616 5.50045 9.80845 10.7616 7.36102 6.34186 7.92304 numMergedOcc 0
13 mol 155 unq 6 iso 0 dist 7.39644 5.40375 7.37901 6.53347 6.40403 7.55196 7.01918 13.1369 8.78665 8.69157 numMergedOcc 0
14 mol 155 unq 7 iso 0 dist 7.36102 6.34186 7.37901 10.3161 6.40403 7.55196 14.7007 13.1369 8.78665 8.69157 numMergedOcc 0
15 mol 155 unq 8 iso 0 dist 7.36102 6.34186 7.37901 10.3161 6.40403 7.55196 10.7616 7.39644 5.40375 6.53347 numMergedOcc 0
16 mol 155 unq 9 iso 0 dist 8.27111 5.48883 8.73171 8.69157 6.00473 9.0529 7.01918 10.6403 9.36596 6.53347 numMergedOcc 0
17 mol 155 unq 10 iso 0 dist 7.68368 5.77564 8.73171 10.8572 6.00473 9.0529 4.66274 8.27111 5.48883 8.69157 numMergedOcc 0
18 mol 155 unq 11 iso 0 dist 7.68368 5.77564 8.73171 10.8572 6.00473 9.0529 11.353 10.6403 9.36596 6.53347 numMergedOcc 0
19 mol 156 unq 0 iso 0 dist 8.47155 9.30783 6.90155 13.5699 10.143 5.81122 5.76755 9.36805 7.29758 9.44367 numMergedOcc 0
20 mol 156 unq 1 iso 0 dist 8.47155 9.30783 6.90155 13.5699 10.143 5.81122 11.1775 13.1853 8.67156 7.90267 numMergedOcc 0
21 mol 156 unq 2 iso 0 dist 9.36805 7.29758 6.90155 9.44367 10.143 5.81122 5.56175 13.1853 8.67156 7.90267 numMergedOcc 0
22 mol 156 unq 3 iso 0 dist 7.55203 4.53931 6.90155 10.3379 10.143 5.81122 8.38403 9.36805 7.29758 9.44367 numMergedOcc 0
23 mol 156 unq 4 iso 0 dist 7.55203 4.53931 6.90155 10.3379 10.143 5.81122 11.2719 13.1853 8.67156 7.90267 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 9.31887 8.22779 4.79852 10.4182 4.30489 5.4997 8.16421 11.3137 7.5414 9.77896 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 9.6668 6.80228 8.20656 12.8533 14.048 9.06217 12.1628 13.2702 6.25083 6.2479 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 9.6668 6.80228 8.20656 12.8533 14.048 9.06217 16.5106 14.8211 10.5753 6.22122 numMergedOcc 0
27 mol 181 unq 2 iso 0 dist 9.6668 6.80228 8.20656 12.8533 14.048 9.06217 5.16002 10.8351 5.86342 7.99195 numMergedOcc 0
28 mol 181 unq 3 iso 0 dist 9.6668 11.6919 9.40622 12.8533 14.048 7.13252 12.1628 13.2702 4.77278 6.2479 numMergedOcc 0
29 mol 181 unq 4 iso 0 dist 9.6668 11.6919 9.40622 12.8533 14.048 7.13252 16.5106 14.8211 5.88819 6.22122 numMergedOcc 0
30 mol 181 unq 5 iso 0 dist 9.6668 11.6919 9.40622 12.8533 14.048 7.13252 5.16002 10.8351 9.14057 7.99195 numMergedOcc 0
31 mol 235 unq 0 iso 0 dist 5.65339 6.43692 7.27958 6.95126 4.29892 7.95766 9.89669 10.7117 4.65302 9.55668 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 8.14172 5.68826 6.00721 7.02333 4.38002 7.04753 5.6348 10.6978 10.8635 8.94014 numMergedOcc 0
33 mol 238 unq 1 iso 0 dist 8.14172 5.68826 6.00721 7.02333 4.38002 7.04753 5.31152 6.77463 4.87097 8.67864 numMergedOcc 0
34 mol 238 unq 2 iso 0 dist 6.77463 4.87097 6.00721 8.67864 4.38002 7.04753 8.87326 10.6978 10.8635 8.94014 numMergedOcc 0
35 mol 238 unq 3 iso 0 dist 6.77463 4.87097 6.00721 8.67864 4.38002 7.04753 5.31152 8.14172 5.68826 7.02333 numMergedOcc 0
36 mol 243 unq 0 iso 0 dist 8.61104 6.55284 9.1101 10.0978 4.78857 7.12785 12.0395 11.6922 5.70464 7.49645 numMergedOcc 0
37 mol 243 unq 1 iso 0 dist 8.61104 6.55284 9.1101 10.0978 4.78857 7.12785 15.957 14.3564 10.3961 9.9222 numMergedOcc 0
38 mol 243 unq 2 iso 0 dist 8.61104 10.5389 8.93338 10.0978 4.78857 6.66959 12.0395 11.6922 7.83758 7.49645 numMergedOcc 0
39 mol 243 unq 3 iso 0 dist 8.61104 10.5389 8.93338 10.0978 4.78857 6.66959 15.957 14.3564 7.8399 9.9222 numMergedOcc 0
