0 mol 28 unq 0 iso 0 dist 5.32719 7.26052 7.28416 11.6018 7.40415 8.4285 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 7.03702 7.36654 7.28416 12.7227 7.40415 8.4285 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 9.16411 14.5415 7.52117 13.7449 7.03307 4.55437 numMergedOcc 0
3 mol 44 unq 1 iso 0 dist 9.16411 14.5415 7.52117 10.2782 7.25707 6.16231 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.39494 5.4527 8.03303 13.4867 7.62738 14.6243 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 9.27584 6.53819 8.00777 15.4112 8.70863 11.165 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 9.27584 9.9705 7.1589 15.4112 8.70863 9.29301 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 6.40964 9.40813 8.65802 5.04277 8.57827 13.534 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 6.40964 9.40813 8.65802 6.77665 7.94453 5.83515 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 8.16531 14.5206 9.81831 14.4018 7.62611 4.4022 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 8.16531 10.2104 9.12858 14.4018 7.62611 8.96224 numMergedOcc 0
11 mol 93 unq 2 iso 0 dist 8.16531 12.7325 9.4523 14.4018 7.62611 10.3849 numMergedOcc 0
12 mol 93 unq 3 iso 0 dist 8.98593 10.145 9.81831 7.04959 7.62611 4.4022 numMergedOcc 0
13 mol 93 unq 4 iso 0 dist 8.98593 13.574 9.12858 7.04959 7.62611 8.96224 numMergedOcc 0
14 mol 93 unq 5 iso 0 dist 8.98593 16.236 9.4523 7.04959 7.62611 10.3849 numMergedOcc 0
15 mol 109 unq 0 iso 0 dist 8.71813 9.09837 8.67766 6.12935 6.76575 7.20706 numMergedOcc 0
16 mol 109 unq 1 iso 0 dist 8.71813 10.9676 8.0831 6.12935 6.76575 5.35728 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 5.5606 4.77991 6.34525 9.72019 9.35942 12.7083 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 8.02258 14.4768 6.69515 5.63251 4.46777 10.1386 numMergedOcc 0
19 mol 141 unq 1 iso 0 dist 8.02258 14.4768 6.69515 12.1023 6.94988 7.42649 numMergedOcc 0
20 mol 141 unq 2 iso 0 dist 8.02258 13.0477 7.86572 5.63251 4.46777 10.1432 numMergedOcc 0
21 mol 141 unq 3 iso 0 dist 8.02258 13.0477 7.86572 12.1023 6.94988 9.43674 numMergedOcc 0
22 mol 158 unq 0 iso 0 dist 6.64084 9.91097 7.88319 4.57581 6.76055 6.4079 numMergedOcc 0
23 mol 158 unq 1 iso 0 dist 6.64084 9.91097 7.88319 11.2833 9.36343 4.25067 numMergedOcc 0
24 mol 162 unq 0 iso 0 dist 8.6792 6.22059 6.20182 10.301 7.14263 4.20425 numMergedOcc 0
25 mol 162 unq 1 iso 0 dist 8.6792 6.22059 6.20182 4.05981 8.57005 6.07158 numMergedOcc 0
26 mol 162 unq 2 iso 0 dist 4.49707 5.00649 8.00506 5.81787 8.21989 9.0783 numMergedOcc 0
27 mol 175 unq 0 iso 0 dist 9.02096 13.6066 8.0154 8.56805 8.05247 6.29885 numMergedOcc 0
28 mol 175 unq 1 iso 0 dist 9.02096 13.6066 8.0154 11.8728 9.71028 7.27408 numMergedOcc 0
29 mol 175 unq 2 iso 0 dist 7.05288 7.12332 9.17364 4.36359 5.5995 6.77832 numMergedOcc 0
30 mol 203 unq 0 iso 0 dist 8.08419 9.59306 8.72527 9.52192 7.94843 10.7669 numMergedOcc 0
31 mol 210 unq 0 iso 0 dist 5.6524 5.92474 7.63018 4.36112 5.57779 5.85636 numMergedOcc 0
32 mol 210 unq 1 iso 0 dist 5.6524 5.92474 7.63018 10.7545 7.05649 10.0337 numMergedOcc 0
33 mol 210 unq 2 iso 0 dist 5.6524 5.92474 7.63018 10.4519 6.78579 7.67559 numMergedOcc 0
34 mol 218 unq 0 iso 0 dist 5.8679 7.34507 8.86175 10.6737 9.32945 4.92618 numMergedOcc 0
35 mol 218 unq 1 iso 0 dist 5.8679 4.79566 6.29511 10.6737 9.32945 7.84019 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 5.98014 10.6512 9.2581 10.3035 9.08955 5.89689 numMergedOcc 0
37 mol 222 unq 1 iso 0 dist 5.98014 10.6512 9.2581 13.4152 8.88664 8.92719 numMergedOcc 0
38 mol 222 unq 2 iso 0 dist 5.98014 10.6512 9.2581 11.5963 7.16819 5.82526 numMergedOcc 0
39 mol 222 unq 3 iso 0 dist 5.98014 5.03763 9.62632 10.3035 9.08955 10.6944 numMergedOcc 0
40 mol 222 unq 4 iso 0 dist 5.98014 5.03763 9.62632 13.4152 8.88664 15.4372 numMergedOcc 0
41 mol 222 unq 5 iso 0 dist 5.98014 5.03763 9.62632 11.5963 7.16819 12.9388 numMergedOcc 0
42 mol 222 unq 6 iso 0 dist 5.98014 4.81992 7.862 10.3035 9.08955 7.75466 numMergedOcc 0
43 mol 222 unq 7 iso 0 dist 5.98014 4.81992 7.862 13.4152 8.88664 12.1951 numMergedOcc 0
44 mol 222 unq 8 iso 0 dist 5.98014 4.81992 7.862 11.5963 7.16819 11.6161 numMergedOcc 0
45 mol 230 unq 0 iso 0 dist 6.86851 12.2372 6.41286 11.277 8.34416 6.33877 numMergedOcc 0
46 mol 230 unq 1 iso 0 dist 6.86851 12.2372 6.41286 9.16476 6.34832 5.0515 numMergedOcc 0
47 mol 230 unq 2 iso 0 dist 9.88392 9.33469 6.41286 6.41577 8.34416 6.33877 numMergedOcc 0
48 mol 230 unq 3 iso 0 dist 9.88392 9.33469 6.41286 10.5257 6.34832 5.0515 numMergedOcc 0
49 mol 257 unq 0 iso 0 dist 9.81316 6.25954 9.69696 4.86373 9.43042 6.74593 numMergedOcc 0
50 mol 258 unq 0 iso 0 dist 8.35413 5.38982 6.70815 10.3959 9.91199 10.8558 numMergedOcc 0
51 mol 258 unq 1 iso 0 dist 8.35413 12.3699 7.99477 10.3959 9.91199 13.2927 numMergedOcc 0
52 mol 279 unq 0 iso 0 dist 9.56438 10.3409 8.29305 11.1913 9.30921 9.37316 numMergedOcc 0
53 mol 279 unq 1 iso 0 dist 9.56438 12.3922 6.43341 11.1913 9.30921 5.58929 numMergedOcc 0
