0 mol 1 unq 0 iso 0 dist 5.87976 8.3673 5.06184 8.83387 4.93091 9.67796 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 8.0637 9.60736 5.61111 7.57076 8.00576 10.6969 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.58806 9.41386 5.45791 8.69224 10.1446 5.8487 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.58806 4.71964 9.19871 8.69224 10.1446 9.34154 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 8.58806 6.58478 7.47366 8.69224 10.1446 12.624 numMergedOcc 0
5 mol 28 unq 0 iso 0 dist 6.53312 6.62508 7.77448 5.98169 10.6136 11.4558 numMergedOcc 0
6 mol 28 unq 1 iso 0 dist 5.9948 9.77719 7.77448 6.76158 11.7233 16.4255 numMergedOcc 0
7 mol 28 unq 2 iso 0 dist 5.9948 9.77719 7.77448 7.423 13.0183 16.0765 numMergedOcc 0
8 mol 28 unq 3 iso 0 dist 5.9948 9.77719 7.77448 5.89257 10.9699 13.6412 numMergedOcc 0
9 mol 62 unq 0 iso 0 dist 6.49446 5.48283 5.56988 6.0827 6.13411 3.73834 numMergedOcc 0
10 mol 62 unq 1 iso 0 dist 6.49446 8.18866 3.71033 6.0827 6.13411 6.1737 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 7.18358 7.56 3.80156 6.29801 5.73969 3.07021 numMergedOcc 0
12 mol 88 unq 0 iso 0 dist 7.66459 9.54537 10.0429 8.57479 3.48087 9.11654 numMergedOcc 0
13 mol 90 unq 0 iso 0 dist 8.91055 7.15918 5.82228 7.30934 7.8463 5.4118 numMergedOcc 0
14 mol 135 unq 0 iso 0 dist 6.29701 8.55869 5.56349 5.60595 3.47015 4.98191 numMergedOcc 0
15 mol 135 unq 1 iso 0 dist 6.29701 6.65965 5.46698 5.60595 3.47015 5.83178 numMergedOcc 0
16 mol 159 unq 0 iso 0 dist 8.61918 9.50607 6.30259 8.11352 3.55677 7.43333 numMergedOcc 0
17 mol 168 unq 0 iso 0 dist 8.80094 8.96534 3.90323 8.47439 15.207 14.2042 numMergedOcc 0
18 mol 168 unq 1 iso 0 dist 8.80094 8.65328 6.97182 8.47439 15.207 10.919 numMergedOcc 0
19 mol 168 unq 2 iso 0 dist 8.80094 5.69346 13.358 8.47439 15.207 6.65321 numMergedOcc 0
20 mol 168 unq 3 iso 0 dist 9.03681 8.96534 15.9598 8.47439 10.3454 14.2042 numMergedOcc 0
21 mol 168 unq 4 iso 0 dist 9.03681 8.65328 16.9458 8.47439 10.3454 10.919 numMergedOcc 0
22 mol 168 unq 5 iso 0 dist 9.03681 5.69346 4.92763 8.47439 10.3454 6.65321 numMergedOcc 0
23 mol 171 unq 0 iso 0 dist 7.7195 7.87612 13.0669 6.80203 11.244 3.52721 numMergedOcc 0
24 mol 171 unq 1 iso 0 dist 9.43988 7.87612 5.89908 6.80203 5.58661 3.52721 numMergedOcc 0
25 mol 171 unq 2 iso 0 dist 8.30819 5.98495 9.74745 8.00826 11.244 8.19592 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 9.75853 9.56218 13.3592 7.82717 3.42324 13.8612 numMergedOcc 0
27 mol 186 unq 1 iso 0 dist 9.75853 9.56218 13.3592 8.19926 8.26669 13.9771 numMergedOcc 0
28 mol 186 unq 2 iso 0 dist 9.75853 9.56218 13.3592 9.02402 14.845 3.2635 numMergedOcc 0
29 mol 186 unq 3 iso 0 dist 9.75853 8.30899 13.0046 7.82717 3.42324 12.9254 numMergedOcc 0
30 mol 186 unq 4 iso 0 dist 9.75853 8.30899 13.0046 8.19926 8.26669 11.6544 numMergedOcc 0
31 mol 186 unq 5 iso 0 dist 9.75853 8.30899 13.0046 9.02402 14.845 4.9849 numMergedOcc 0
32 mol 220 unq 0 iso 0 dist 9.22999 9.72819 14.6977 9.54857 3.95588 13.6485 numMergedOcc 0
33 mol 220 unq 1 iso 0 dist 9.22999 9.72819 14.6977 8.73456 5.73222 10.687 numMergedOcc 0
34 mol 225 unq 0 iso 0 dist 9.60654 9.48525 16.0311 7.22151 3.90226 12.315 numMergedOcc 0
35 mol 225 unq 1 iso 0 dist 7.11262 9.48525 6.04066 7.22151 6.59432 12.315 numMergedOcc 0
36 mol 243 unq 0 iso 0 dist 9.6748 7.42359 6.76489 8.35328 3.79865 7.66826 numMergedOcc 0
37 mol 243 unq 1 iso 0 dist 8.71177 7.42359 3.72181 8.35328 8.58943 7.66826 numMergedOcc 0
38 mol 248 unq 0 iso 0 dist 7.6899 6.79869 3.67057 7.9475 6.64096 3.56723 numMergedOcc 0
39 mol 260 unq 0 iso 0 dist 4.76689 6.54521 6.73886 7.22473 3.48905 7.35802 numMergedOcc 0
40 mol 260 unq 1 iso 0 dist 4.76689 6.54521 6.73886 6.02628 3.43711 9.94995 numMergedOcc 0
41 mol 260 unq 2 iso 0 dist 7.26455 6.54521 5.38205 7.22473 7.46252 7.35802 numMergedOcc 0
42 mol 260 unq 3 iso 0 dist 7.26455 6.54521 5.38205 6.02628 7.63469 9.94995 numMergedOcc 0
43 mol 260 unq 4 iso 0 dist 8.79012 7.97307 9.0549 7.13397 3.48905 8.04546 numMergedOcc 0
44 mol 260 unq 5 iso 0 dist 8.79012 7.97307 9.0549 5.33278 8.84611 3.68866 numMergedOcc 0
45 mol 260 unq 6 iso 0 dist 8.79012 8.52702 17.1277 7.13397 3.48905 15.6308 numMergedOcc 0
46 mol 260 unq 7 iso 0 dist 8.79012 8.52702 17.1277 5.33278 8.84611 10.6938 numMergedOcc 0
47 mol 266 unq 0 iso 0 dist 9.477 6.61768 7.54309 6.9943 3.87565 3.68488 numMergedOcc 0
48 mol 266 unq 1 iso 0 dist 9.477 6.61768 7.54309 7.36685 9.25882 3.14784 numMergedOcc 0
49 mol 266 unq 2 iso 0 dist 9.477 6.61768 7.54309 9.03099 12.1357 5.95721 numMergedOcc 0
50 mol 292 unq 0 iso 0 dist 6.84909 8.51266 11.4255 7.61675 8.93255 12.6536 numMergedOcc 0
