0 mol 0 unq 0 iso 0 dist 9.19007 6.91778 14.0232 9.67081 16.5238 5.8463 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.56794 6.91778 10.1804 9.67081 11.9068 5.8463 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 7.88043 5.99972 7.25346 7.78327 10.6558 3.54153 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 8.80762 5.99972 10.0658 7.78327 13.5227 3.54153 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 4.93188 8.70827 9.75636 8.23075 4.21283 12.2271 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 4.93188 8.70827 9.75636 4.7841 4.97191 12.6431 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 4.93188 6.73939 10.0715 8.23075 4.21283 12.2839 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 4.93188 6.73939 10.0715 4.7841 4.97191 6.22954 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 5.81959 8.6653 6.61233 7.03372 6.32857 10.3493 numMergedOcc 0
9 mol 52 unq 0 iso 0 dist 9.66501 6.31696 12.6605 6.22221 7.92666 5.88357 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.16364 6.02816 9.03289 8.62079 12.6176 12.0718 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 7.33422 7.54568 6.85215 8.04242 9.09756 13.5973 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 6.61823 8.91313 14.4996 8.85601 13.129 4.17255 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 6.61823 8.16392 6.90324 8.85601 13.129 9.96839 numMergedOcc 0
14 mol 92 unq 2 iso 0 dist 6.49956 8.91313 12.0757 8.85601 12.8901 4.17255 numMergedOcc 0
15 mol 92 unq 3 iso 0 dist 6.49956 8.16392 7.64508 8.85601 12.8901 9.96839 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 7.26086 6.65501 11.2092 7.92856 8.67903 11.6496 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 6.34525 6.84011 8.51024 9.93438 13.7162 5.99273 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 6.98934 8.99399 8.28905 7.60162 9.53672 5.77063 numMergedOcc 0
19 mol 119 unq 1 iso 0 dist 7.99623 8.99399 4.99495 7.60162 8.90156 5.77063 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 8.80895 9.6795 5.92118 numMergedOcc 0
21 mol 131 unq 1 iso 0 dist 9.29384 9.25558 11.2516 8.80895 9.6795 10.2176 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 8.41611 7.78652 15.0801 8.99891 7.87644 14.3396 numMergedOcc 0
23 mol 143 unq 1 iso 0 dist 8.41611 8.91301 15.0315 8.99891 7.87644 12.476 numMergedOcc 0
24 mol 143 unq 2 iso 0 dist 7.63338 7.78652 11.5146 8.99891 13.5899 14.3396 numMergedOcc 0
25 mol 143 unq 3 iso 0 dist 7.63338 8.91301 13.434 8.99891 13.5899 12.476 numMergedOcc 0
26 mol 143 unq 4 iso 0 dist 9.03707 7.78652 8.97873 8.99891 9.13604 14.3396 numMergedOcc 0
27 mol 143 unq 5 iso 0 dist 9.03707 8.91301 6.29542 8.99891 9.13604 12.476 numMergedOcc 0
28 mol 143 unq 6 iso 0 dist 7.25673 7.78652 6.60479 8.99891 12.6218 14.3396 numMergedOcc 0
29 mol 143 unq 7 iso 0 dist 7.25673 8.91301 7.54337 8.99891 12.6218 12.476 numMergedOcc 0
30 mol 163 unq 0 iso 0 dist 8.38738 9.07943 8.55624 9.90947 15.2764 9.82832 numMergedOcc 0
31 mol 163 unq 1 iso 0 dist 8.38738 9.07943 8.55624 8.16252 12.99 9.10855 numMergedOcc 0
32 mol 175 unq 0 iso 0 dist 5.4969 9.39352 8.94702 9.19156 6.41193 11.8094 numMergedOcc 0
33 mol 175 unq 1 iso 0 dist 6.4318 9.39352 4.06277 9.19156 10.568 11.8094 numMergedOcc 0
34 mol 175 unq 2 iso 0 dist 7.35824 9.39352 10.3786 9.19156 14.7729 11.8094 numMergedOcc 0
35 mol 175 unq 3 iso 0 dist 9.17364 9.39352 11.9672 9.19156 18.0583 11.8094 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 6.72641 7.76163 6.71237 6.93931 3.99552 5.70845 numMergedOcc 0
37 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 9.52922 7.82899 3.7326 numMergedOcc 0
38 mol 195 unq 0 iso 0 dist 6.60567 7.36683 6.0634 6.59544 11.5264 9.10355 numMergedOcc 0
39 mol 195 unq 1 iso 0 dist 6.60567 6.95086 6.74112 6.59544 11.5264 9.70528 numMergedOcc 0
40 mol 198 unq 0 iso 0 dist 8.10985 6.34616 9.86517 6.77156 13.3432 4.73496 numMergedOcc 0
41 mol 198 unq 1 iso 0 dist 8.10985 6.34616 9.86517 7.97894 12.4245 4.97547 numMergedOcc 0
42 mol 198 unq 2 iso 0 dist 8.10985 6.34616 9.86517 8.08471 5.45278 5.92533 numMergedOcc 0
43 mol 205 unq 0 iso 0 dist 5.60393 5.44002 8.46033 7.13783 12.0319 4.76454 numMergedOcc 0
44 mol 206 unq 0 iso 0 dist 8.70977 7.75885 10.7023 6.23183 11.5047 9.36584 numMergedOcc 0
45 mol 210 unq 0 iso 0 dist 5.37446 7.10826 7.1777 6.85824 7.61953 4.73037 numMergedOcc 0
46 mol 232 unq 0 iso 0 dist 7.83711 9.05071 13.8622 8.25985 6.20756 12.159 numMergedOcc 0
47 mol 232 unq 1 iso 0 dist 7.83711 9.05071 13.8622 9.27788 11.7554 8.36223 numMergedOcc 0
48 mol 240 unq 0 iso 0 dist 9.47583 6.68687 15.5587 5.77749 10.2659 7.06594 numMergedOcc 0
49 mol 258 unq 0 iso 0 dist 8.15467 7.6595 6.05037 7.12221 8.34189 4.97531 numMergedOcc 0
50 mol 258 unq 1 iso 0 dist 8.15467 7.6595 6.05037 5.4557 10.6472 7.26991 numMergedOcc 0
51 mol 274 unq 0 iso 0 dist 9.56685 9.85289 5.36428 9.83622 8.10746 5.14522 numMergedOcc 0
52 mol 274 unq 1 iso 0 dist 8.49922 9.85289 11.9754 9.83622 13.2205 5.14522 numMergedOcc 0
53 mol 278 unq 0 iso 0 dist 7.67245 6.62841 13.537 5.35705 5.78276 10.5492 numMergedOcc 0
