0 mol 7 unq 0 iso 0 dist 8.41585 5.99459 6.88805 7.78327 13.5229 7.00508 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 5.54419 6.6219 4.82629 8.23075 6.7846 10.1923 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 5.54419 6.6219 4.82629 4.7841 8.03955 9.92483 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 5.54419 5.68215 10.1698 8.23075 6.7846 9.24731 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 5.54419 5.68215 10.1698 4.7841 8.03955 3.53396 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 7.31767 7.6114 6.10919 7.03372 7.23535 9.34154 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 6.03987 7.6114 5.86705 7.03372 9.92243 9.34154 numMergedOcc 0
7 mol 38 unq 0 iso 0 dist 7.50293 7.26639 4.40004 8.83233 7.63536 8.71152 numMergedOcc 0
8 mol 38 unq 1 iso 0 dist 9.91611 7.26639 8.68364 8.83233 4.04384 8.71152 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 8.80331 6.6263 5.41726 7.39848 9.86609 5.14161 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 6.81627 5.38524 5.61579 7.4785 4.25144 5.77163 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 7.32874 8.69057 5.61579 8.34191 8.44881 11.7295 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 7.32874 8.69057 5.61579 6.39747 4.25144 5.77163 numMergedOcc 0
13 mol 58 unq 3 iso 0 dist 6.35756 8.96727 9.87158 7.17488 4.59417 10.5853 numMergedOcc 0
14 mol 58 unq 4 iso 0 dist 6.35756 8.01308 5.86526 7.17488 4.59417 5.11422 numMergedOcc 0
15 mol 72 unq 0 iso 0 dist 8.8178 7.12321 4.27726 4.86198 5.21565 4.38233 numMergedOcc 0
16 mol 72 unq 1 iso 0 dist 9.96708 7.12321 7.47371 4.86198 10.7434 4.38233 numMergedOcc 0
17 mol 72 unq 2 iso 0 dist 9.78528 6.21799 7.47371 6.62699 10.7434 4.38233 numMergedOcc 0
18 mol 72 unq 3 iso 0 dist 9.78528 5.03251 9.67587 6.62699 10.7434 5.62585 numMergedOcc 0
19 mol 72 unq 4 iso 0 dist 9.78528 7.66093 7.07356 6.62699 10.7434 9.84528 numMergedOcc 0
20 mol 73 unq 0 iso 0 dist 8.70481 5.5087 11.2069 7.37171 15.1432 10.0644 numMergedOcc 0
21 mol 73 unq 1 iso 0 dist 8.70481 6.08682 10.6713 7.37171 15.1432 12.1501 numMergedOcc 0
22 mol 85 unq 0 iso 0 dist 7.95579 7.7068 6.36397 8.04242 5.76272 11.1225 numMergedOcc 0
23 mol 85 unq 1 iso 0 dist 6.19965 7.7068 4.41789 8.04242 8.18948 11.1225 numMergedOcc 0
24 mol 85 unq 2 iso 0 dist 7.66905 7.7068 5.59906 8.04242 14.113 11.1225 numMergedOcc 0
25 mol 88 unq 0 iso 0 dist 9.36773 7.80898 12.1193 9.07128 10.8406 9.11654 numMergedOcc 0
26 mol 88 unq 1 iso 0 dist 9.36773 7.80898 12.1193 6.65615 4.47193 10.8983 numMergedOcc 0
27 mol 113 unq 0 iso 0 dist 5.86073 8.80934 5.70579 7.02367 5.37655 3.52445 numMergedOcc 0
28 mol 113 unq 1 iso 0 dist 5.86073 8.80934 5.70579 9.30832 5.46207 10.4701 numMergedOcc 0
29 mol 122 unq 0 iso 0 dist 8.37808 6.00603 6.15636 4.42563 7.90729 3.17342 numMergedOcc 0
30 mol 129 unq 0 iso 0 dist 8.54584 6.69691 8.26896 7.97548 12.5321 9.74071 numMergedOcc 0
31 mol 129 unq 1 iso 0 dist 8.54584 6.69691 8.26896 9.64164 11.3755 6.92699 numMergedOcc 0
32 mol 129 unq 2 iso 0 dist 8.54584 5.51197 12.1739 7.97548 12.5321 9.87781 numMergedOcc 0
33 mol 129 unq 3 iso 0 dist 8.54584 5.51197 12.1739 9.64164 11.3755 9.93375 numMergedOcc 0
34 mol 129 unq 4 iso 0 dist 8.54584 8.86944 5.63254 7.97548 12.5321 13.8096 numMergedOcc 0
35 mol 129 unq 5 iso 0 dist 8.54584 8.86944 5.63254 9.64164 11.3755 11.221 numMergedOcc 0
36 mol 132 unq 0 iso 0 dist 7.7059 6.89918 12.9631 5.77186 6.85721 6.96373 numMergedOcc 0
37 mol 143 unq 0 iso 0 dist 5.99315 7.36975 13.1926 8.99891 9.14188 14.4074 numMergedOcc 0
38 mol 143 unq 1 iso 0 dist 5.99315 5.40637 7.39837 8.99891 9.14188 5.94217 numMergedOcc 0
39 mol 143 unq 2 iso 0 dist 5.99315 5.37047 4.78563 8.64905 6.75249 10.4448 numMergedOcc 0
40 mol 152 unq 0 iso 0 dist 8.56324 6.59889 5.39112 7.55934 9.73449 5.12696 numMergedOcc 0
41 mol 152 unq 1 iso 0 dist 8.56324 8.9192 4.84714 7.55934 9.73449 6.04238 numMergedOcc 0
42 mol 175 unq 0 iso 0 dist 9.29945 9.63417 11.0361 9.19156 13.8965 14.8784 numMergedOcc 0
43 mol 178 unq 0 iso 0 dist 6.69288 9.11204 8.44333 4.72821 4.69387 9.56928 numMergedOcc 0
44 mol 178 unq 1 iso 0 dist 6.43573 9.11204 6.8202 4.72821 3.70233 9.56928 numMergedOcc 0
45 mol 178 unq 2 iso 0 dist 7.17202 9.11204 14.9499 4.72821 7.39705 9.56928 numMergedOcc 0
46 mol 178 unq 3 iso 0 dist 8.81551 9.11204 14.2467 4.72821 9.77268 9.56928 numMergedOcc 0
47 mol 181 unq 0 iso 0 dist 7.81386 6.64173 6.8757 8.29467 6.13927 5.09584 numMergedOcc 0
48 mol 181 unq 1 iso 0 dist 7.81386 9.01624 5.71898 8.29467 6.13927 11.4645 numMergedOcc 0
49 mol 181 unq 2 iso 0 dist 7.81386 9.55105 5.83796 8.29467 6.13927 11.5807 numMergedOcc 0
50 mol 181 unq 3 iso 0 dist 7.63312 6.64173 10.6474 8.29467 13.2274 5.09584 numMergedOcc 0
51 mol 181 unq 4 iso 0 dist 7.63312 9.01624 5.93724 8.29467 13.2274 11.4645 numMergedOcc 0
52 mol 181 unq 5 iso 0 dist 7.63312 9.55105 5.12833 8.29467 13.2274 11.5807 numMergedOcc 0
53 mol 205 unq 0 iso 0 dist 9.61492 6.49765 10.6504 9.31158 10.8636 6.49396 numMergedOcc 0
54 mol 205 unq 1 iso 0 dist 7.45763 6.49765 8.67921 9.31158 5.42503 6.49396 numMergedOcc 0
55 mol 232 unq 0 iso 0 dist 8.27212 6.71524 5.10213 8.25985 4.04428 3.43286 numMergedOcc 0
56 mol 232 unq 1 iso 0 dist 8.27212 6.71524 5.10213 9.27788 4.22149 5.45761 numMergedOcc 0
57 mol 248 unq 0 iso 0 dist 7.69895 9.05018 4.58289 7.79063 6.19721 9.81612 numMergedOcc 0
58 mol 277 unq 0 iso 0 dist 9.7748 9.35539 11.4555 4.9764 11.8607 13.2853 numMergedOcc 0
59 mol 277 unq 1 iso 0 dist 9.7748 9.35539 11.4555 6.36559 10.9137 12.4985 numMergedOcc 0
60 mol 277 unq 2 iso 0 dist 9.7748 8.9682 17.6038 4.9764 11.8607 5.9732 numMergedOcc 0
61 mol 277 unq 3 iso 0 dist 9.7748 8.9682 17.6038 6.36559 10.9137 8.61922 numMergedOcc 0
62 mol 277 unq 4 iso 0 dist 9.7748 6.92711 14.772 4.9764 11.8607 3.79766 numMergedOcc 0
63 mol 277 unq 5 iso 0 dist 9.7748 6.92711 14.772 6.36559 10.9137 7.07613 numMergedOcc 0
64 mol 292 unq 0 iso 0 dist 8.2734 7.20674 7.8414 6.69619 4.02751 8.76061 numMergedOcc 0
65 mol 292 unq 1 iso 0 dist 8.2734 7.20674 7.8414 4.49592 5.99797 9.42231 numMergedOcc 0
66 mol 292 unq 2 iso 0 dist 8.2734 8.38121 14.179 6.69619 4.02751 12.1704 numMergedOcc 0
67 mol 292 unq 3 iso 0 dist 8.2734 8.38121 14.179 4.49592 5.99797 11.9106 numMergedOcc 0
