0 mol 26 unq 0 iso 0 dist 7.10804 14.7616 8.62527 15.2306 8.36742 3.30063 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 7.10804 14.7616 8.62527 13.3615 8.10028 8.44515 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 8.64424 11.0672 8.62527 8.82979 8.36742 3.30063 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 8.64424 11.0672 8.62527 3.63999 8.10028 8.44515 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 9.32784 8.14466 7.43758 10.9344 5.75809 5.35996 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 9.10681 5.27829 5.68877 8.3237 9.36493 5.22301 numMergedOcc 0
6 mol 34 unq 1 iso 0 dist 9.10681 5.27829 5.68877 11.3659 9.0665 9.36704 numMergedOcc 0
7 mol 34 unq 2 iso 0 dist 9.10681 5.27829 5.68877 15.0854 7.07773 12.1168 numMergedOcc 0
8 mol 44 unq 0 iso 0 dist 6.9327 8.53366 7.41011 9.16104 9.80946 3.76713 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 4.22514 10.5752 8.34361 11.8083 9.63616 2.97898 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 8.06502 10.8072 6.04611 9.26191 6.50622 7.21901 numMergedOcc 0
11 mol 78 unq 1 iso 0 dist 8.06502 10.8072 6.04611 6.42604 4.45433 5.83035 numMergedOcc 0
12 mol 83 unq 0 iso 0 dist 7.16429 11.3005 7.88704 12.8944 9.98298 3.71967 numMergedOcc 0
13 mol 83 unq 1 iso 0 dist 7.16429 11.3005 7.88704 10.4765 7.55036 6.15397 numMergedOcc 0
14 mol 83 unq 2 iso 0 dist 7.16429 11.3005 7.88704 6.73998 8.32248 13.8225 numMergedOcc 0
15 mol 83 unq 3 iso 0 dist 7.16429 6.54776 6.55352 12.8944 9.98298 8.67453 numMergedOcc 0
16 mol 83 unq 4 iso 0 dist 7.16429 6.54776 6.55352 10.4765 7.55036 4.7741 numMergedOcc 0
17 mol 83 unq 5 iso 0 dist 7.16429 6.54776 6.55352 6.73998 8.32248 5.61725 numMergedOcc 0
18 mol 83 unq 6 iso 0 dist 7.16429 6.98135 9.05437 12.8944 9.98298 16.9252 numMergedOcc 0
19 mol 83 unq 7 iso 0 dist 7.16429 6.98135 9.05437 10.4765 7.55036 12.9907 numMergedOcc 0
20 mol 83 unq 8 iso 0 dist 7.16429 6.98135 9.05437 6.73998 8.32248 3.91658 numMergedOcc 0
21 mol 83 unq 9 iso 0 dist 7.16429 4.31442 9.00625 12.8944 9.98298 16.7395 numMergedOcc 0
22 mol 83 unq 10 iso 0 dist 7.16429 4.31442 9.00625 10.4765 7.55036 14.1991 numMergedOcc 0
23 mol 83 unq 11 iso 0 dist 7.16429 4.31442 9.00625 6.73998 8.32248 8.33755 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 9.0584 16.82 8.04448 9.40876 5.24616 9.39313 numMergedOcc 0
25 mol 151 unq 0 iso 0 dist 8.70668 11.2259 9.39452 10.689 8.16646 8.95545 numMergedOcc 0
26 mol 172 unq 0 iso 0 dist 9.40213 11.0523 8.2809 6.2666 7.3485 8.78717 numMergedOcc 0
27 mol 172 unq 1 iso 0 dist 8.75042 9.39946 8.2809 11.7152 7.3485 8.78717 numMergedOcc 0
28 mol 212 unq 0 iso 0 dist 9.88141 5.1735 8.85976 5.68716 9.20546 6.22585 numMergedOcc 0
29 mol 220 unq 0 iso 0 dist 7.10646 8.12353 6.64341 9.35225 5.04072 8.85684 numMergedOcc 0
30 mol 220 unq 1 iso 0 dist 7.10646 8.12353 6.64341 3.95521 8.67956 6.43635 numMergedOcc 0
31 mol 220 unq 2 iso 0 dist 7.10646 10.6332 7.31315 9.35225 5.04072 7.67001 numMergedOcc 0
32 mol 220 unq 3 iso 0 dist 7.10646 10.6332 7.31315 3.95521 8.67956 9.04953 numMergedOcc 0
33 mol 233 unq 0 iso 0 dist 8.25961 3.63541 7.44436 6.41178 5.22629 3.4982 numMergedOcc 0
34 mol 241 unq 0 iso 0 dist 4.66398 5.06075 7.30582 11.3639 9.87415 8.48642 numMergedOcc 0
35 mol 241 unq 1 iso 0 dist 9.05448 11.2556 7.30582 6.51662 9.87415 8.48642 numMergedOcc 0
36 mol 257 unq 0 iso 0 dist 8.5835 12.1004 9.27027 3.41163 8.81508 11.7751 numMergedOcc 0
37 mol 257 unq 1 iso 0 dist 8.5835 11.3116 7.87058 3.41163 8.81508 8.91326 numMergedOcc 0
38 mol 278 unq 0 iso 0 dist 7.99979 4.8897 9.66477 4.32613 5.35362 7.67795 numMergedOcc 0
39 mol 278 unq 1 iso 0 dist 7.99979 4.8897 9.66477 7.34756 8.22364 8.44569 numMergedOcc 0
40 mol 278 unq 2 iso 0 dist 8.0742 10.6796 9.66477 3.64811 5.35362 7.67795 numMergedOcc 0
41 mol 278 unq 3 iso 0 dist 8.0742 10.6796 9.66477 6.31745 8.22364 8.44569 numMergedOcc 0
42 mol 279 unq 0 iso 0 dist 5.15432 9.33832 7.35799 3.75969 5.76793 11.2104 numMergedOcc 0
43 mol 279 unq 1 iso 0 dist 5.15432 9.33832 7.35799 11.1754 7.72276 9.14234 numMergedOcc 0
44 mol 279 unq 2 iso 0 dist 8.2375 13.7765 7.35799 3.72823 5.76793 11.2104 numMergedOcc 0
45 mol 279 unq 3 iso 0 dist 8.2375 13.7765 7.35799 9.62805 7.72276 9.14234 numMergedOcc 0
46 mol 279 unq 4 iso 0 dist 9.23951 11.1553 7.35799 6.22298 5.76793 11.2104 numMergedOcc 0
47 mol 279 unq 5 iso 0 dist 9.23951 11.1553 7.35799 8.30922 7.72276 9.14234 numMergedOcc 0
48 mol 279 unq 6 iso 0 dist 5.90003 6.72238 7.67032 3.83238 5.16266 9.78358 numMergedOcc 0
49 mol 283 unq 0 iso 0 dist 7.11407 3.85698 9.69083 9.8348 9.33601 13.6006 numMergedOcc 0
50 mol 283 unq 1 iso 0 dist 7.11407 7.85589 5.96202 9.8348 9.33601 6.35533 numMergedOcc 0
51 mol 283 unq 2 iso 0 dist 7.11407 10.1709 9.55068 9.8348 9.33601 13.9497 numMergedOcc 0
