0 mol 7 unq 0 iso 0 dist 6.7985 8.43473 6.14469 14.3576 12.4861 8.60435 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.68596 5.03847 6.14469 11.8684 12.4861 8.60435 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 9.62394 16.147 7.35972 21.9534 13.7528 6.59455 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 7.32257 8.50424 7.35972 7.05346 8.88528 8.076 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 7.32257 8.50424 7.35972 10.8213 4.58685 6.32226 numMergedOcc 0
5 mol 9 unq 3 iso 0 dist 6.55811 6.02809 7.35972 10.5699 8.88528 8.076 numMergedOcc 0
6 mol 9 unq 4 iso 0 dist 6.55811 6.02809 7.35972 7.9944 4.58685 6.32226 numMergedOcc 0
7 mol 9 unq 5 iso 0 dist 8.64915 4.98827 7.35972 12.6235 8.88528 8.076 numMergedOcc 0
8 mol 9 unq 6 iso 0 dist 8.64915 4.98827 7.35972 7.032 4.58685 6.32226 numMergedOcc 0
9 mol 9 unq 7 iso 0 dist 7.36018 6.02809 9.93542 10.5699 14.0736 8.076 numMergedOcc 0
10 mol 9 unq 8 iso 0 dist 7.36018 6.02809 9.93542 7.9944 5.83039 6.32226 numMergedOcc 0
11 mol 9 unq 9 iso 0 dist 8.17347 4.98827 9.93542 12.6235 14.0736 8.076 numMergedOcc 0
12 mol 9 unq 10 iso 0 dist 8.17347 4.98827 9.93542 7.032 5.83039 6.32226 numMergedOcc 0
13 mol 19 unq 0 iso 0 dist 8.40416 4.64838 9.95212 10.1882 13.9675 6.39966 numMergedOcc 0
14 mol 19 unq 1 iso 0 dist 7.75618 4.97119 9.95212 6.92532 13.9675 6.39966 numMergedOcc 0
15 mol 24 unq 0 iso 0 dist 7.33768 6.66749 8.00171 11.1214 7.72688 6.2004 numMergedOcc 0
16 mol 24 unq 1 iso 0 dist 9.41441 4.32034 8.00171 6.60423 11.9395 9.69752 numMergedOcc 0
17 mol 24 unq 2 iso 0 dist 9.41441 8.52463 6.72323 13.0257 10.0715 4.90592 numMergedOcc 0
18 mol 24 unq 3 iso 0 dist 9.41441 8.52463 6.72323 6.60423 11.9395 9.36461 numMergedOcc 0
19 mol 24 unq 4 iso 0 dist 9.01567 6.66749 4.2121 11.1214 6.25108 6.2004 numMergedOcc 0
20 mol 24 unq 5 iso 0 dist 6.73939 11.9112 8.00171 14.156 11.9395 9.69752 numMergedOcc 0
21 mol 24 unq 6 iso 0 dist 6.73939 5.11617 6.72323 4.93188 10.0715 4.90592 numMergedOcc 0
22 mol 24 unq 7 iso 0 dist 6.73939 5.11617 6.72323 14.156 11.9395 9.36461 numMergedOcc 0
23 mol 24 unq 8 iso 0 dist 8.4051 12.176 6.72323 15.5937 11.8207 6.2004 numMergedOcc 0
24 mol 24 unq 9 iso 0 dist 7.29868 6.66749 6.72323 11.1214 11.8207 6.2004 numMergedOcc 0
25 mol 24 unq 10 iso 0 dist 8.60554 14.012 6.72323 18.2639 11.8207 6.2004 numMergedOcc 0
26 mol 44 unq 0 iso 0 dist 9.6782 4.55437 7.48846 7.52117 5.1728 7.03307 numMergedOcc 0
27 mol 60 unq 0 iso 0 dist 9.90939 5.94827 8.97364 7.55695 4.82351 4.65127 numMergedOcc 0
28 mol 92 unq 0 iso 0 dist 7.52354 14.3301 9.91054 14.1162 9.98219 7.39179 numMergedOcc 0
29 mol 98 unq 0 iso 0 dist 5.78706 11.3905 7.14031 14.2622 8.53212 6.62972 numMergedOcc 0
30 mol 98 unq 1 iso 0 dist 6.65501 7.06961 6.88901 7.26086 11.2092 8.43352 numMergedOcc 0
31 mol 98 unq 2 iso 0 dist 7.23884 14.2646 7.14031 13.6237 8.53212 6.62972 numMergedOcc 0
32 mol 98 unq 3 iso 0 dist 5.59328 4.67519 7.14031 5.88354 8.53212 6.62972 numMergedOcc 0
33 mol 98 unq 4 iso 0 dist 7.5242 10.4027 7.14031 5.74854 8.53212 6.62972 numMergedOcc 0
34 mol 119 unq 0 iso 0 dist 8.99399 7.45148 7.20249 7.99623 4.99495 9.9151 numMergedOcc 0
35 mol 129 unq 0 iso 0 dist 9.36851 4.55551 9.73158 10.0483 5.51078 9.98397 numMergedOcc 0
36 mol 129 unq 1 iso 0 dist 9.36851 4.55551 9.73158 8.03372 6.84211 9.94578 numMergedOcc 0
37 mol 129 unq 2 iso 0 dist 4.97175 4.55551 7.59327 10.0483 6.80501 9.98397 numMergedOcc 0
38 mol 129 unq 3 iso 0 dist 4.97175 4.55551 7.59327 8.03372 4.53459 9.94578 numMergedOcc 0
39 mol 134 unq 0 iso 0 dist 5.83771 4.60632 6.40575 13.6079 14.2253 9.30061 numMergedOcc 0
40 mol 134 unq 1 iso 0 dist 7.80532 5.71679 6.40575 13.846 14.2253 9.30061 numMergedOcc 0
41 mol 141 unq 0 iso 0 dist 9.97343 10.1432 6.83404 7.86572 5.38571 4.46777 numMergedOcc 0
42 mol 141 unq 1 iso 0 dist 9.70413 7.27731 6.83404 10.271 5.38571 4.46777 numMergedOcc 0
43 mol 156 unq 0 iso 0 dist 7.30357 5.81563 8.21184 5.38091 12.4049 7.46845 numMergedOcc 0
44 mol 156 unq 1 iso 0 dist 8.61587 5.81563 5.9976 5.38091 11.7015 7.46845 numMergedOcc 0
45 mol 171 unq 0 iso 0 dist 9.61462 11.5561 5.25109 18.0501 9.54524 7.32555 numMergedOcc 0
46 mol 171 unq 1 iso 0 dist 6.64834 4.78075 5.25109 12.6307 9.18337 8.1536 numMergedOcc 0
47 mol 171 unq 2 iso 0 dist 5.93786 7.9651 5.25109 14.2846 9.18337 8.1536 numMergedOcc 0
48 mol 171 unq 3 iso 0 dist 8.24693 12.6853 5.25109 15.3908 9.18337 8.1536 numMergedOcc 0
49 mol 171 unq 4 iso 0 dist 7.36698 5.90026 5.25109 13.1421 9.18337 8.1536 numMergedOcc 0
50 mol 171 unq 5 iso 0 dist 8.1344 7.9651 8.21618 14.2846 8.83874 8.1536 numMergedOcc 0
51 mol 171 unq 6 iso 0 dist 6.71356 12.6853 8.21618 15.3908 8.83874 8.1536 numMergedOcc 0
52 mol 181 unq 0 iso 0 dist 5.9176 6.29863 7.22883 11.6563 8.30281 7.11785 numMergedOcc 0
53 mol 194 unq 0 iso 0 dist 8.65535 11.6598 6.1886 6.26839 5.92931 5.68348 numMergedOcc 0
54 mol 194 unq 1 iso 0 dist 6.72379 7.11753 6.38324 8.83356 7.50057 5.68348 numMergedOcc 0
55 mol 232 unq 0 iso 0 dist 8.50102 12.3508 9.8664 14.8539 12.721 8.28466 numMergedOcc 0
56 mol 232 unq 1 iso 0 dist 9.40808 8.80479 9.8664 14.6969 12.721 8.28466 numMergedOcc 0
57 mol 232 unq 2 iso 0 dist 9.05071 4.9377 9.8664 7.83711 13.8622 6.57921 numMergedOcc 0
58 mol 237 unq 0 iso 0 dist 9.20822 10.6582 8.10254 15.7018 9.25593 9.54499 numMergedOcc 0
59 mol 237 unq 1 iso 0 dist 9.20822 10.6582 8.10254 13.2536 6.26206 5.6703 numMergedOcc 0
60 mol 237 unq 2 iso 0 dist 9.16003 11.1554 8.10254 12.9119 5.90415 5.06628 numMergedOcc 0
61 mol 274 unq 0 iso 0 dist 9.85289 5.29529 6.88827 9.56685 5.36428 8.2997 numMergedOcc 0
