0 mol 9 unq 0 iso 0 dist 7.32257 8.50424 7.35972 7.05346 8.88528 8.076 11.0167 5.43306 9.93542 14.0736 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 7.32257 8.50424 7.35972 10.8213 4.58685 6.32226 11.0167 5.43306 9.93542 5.83039 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 6.55811 6.02809 7.35972 10.5699 8.88528 8.076 7.36018 5.43306 9.93542 14.0736 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 6.55811 6.02809 7.35972 7.9944 4.58685 6.32226 7.36018 5.43306 9.93542 5.83039 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 8.64915 4.98827 7.35972 12.6235 8.88528 8.076 8.17347 5.43306 9.93542 14.0736 numMergedOcc 0
5 mol 9 unq 5 iso 0 dist 8.64915 4.98827 7.35972 7.032 4.58685 6.32226 8.17347 5.43306 9.93542 5.83039 numMergedOcc 0
6 mol 9 unq 6 iso 0 dist 7.36018 6.02809 9.93542 10.5699 14.0736 8.076 6.55811 5.43306 7.35972 8.88528 numMergedOcc 0
7 mol 9 unq 7 iso 0 dist 7.36018 6.02809 9.93542 7.9944 5.83039 6.32226 6.55811 5.43306 7.35972 4.58685 numMergedOcc 0
8 mol 9 unq 8 iso 0 dist 8.17347 4.98827 9.93542 12.6235 14.0736 8.076 8.64915 5.43306 7.35972 8.88528 numMergedOcc 0
9 mol 9 unq 9 iso 0 dist 8.17347 4.98827 9.93542 7.032 5.83039 6.32226 8.64915 5.43306 7.35972 4.58685 numMergedOcc 0
10 mol 24 unq 0 iso 0 dist 7.33768 6.66749 8.00171 11.1214 7.72688 6.2004 12.2059 10.3279 5.95834 4.82556 numMergedOcc 0
11 mol 24 unq 1 iso 0 dist 7.33768 6.66749 8.00171 11.1214 7.72688 6.2004 9.01567 7.88693 4.2121 6.25108 numMergedOcc 0
12 mol 24 unq 2 iso 0 dist 7.33768 6.66749 8.00171 11.1214 7.72688 6.2004 7.29868 10.2653 6.72323 11.8207 numMergedOcc 0
13 mol 24 unq 3 iso 0 dist 9.01567 6.66749 4.2121 11.1214 6.25108 6.2004 12.2059 4.15946 5.95834 4.82556 numMergedOcc 0
14 mol 24 unq 4 iso 0 dist 9.01567 6.66749 4.2121 11.1214 6.25108 6.2004 7.33768 7.88693 8.00171 7.72688 numMergedOcc 0
15 mol 24 unq 5 iso 0 dist 9.01567 6.66749 4.2121 11.1214 6.25108 6.2004 7.29868 6.16544 6.72323 11.8207 numMergedOcc 0
16 mol 24 unq 6 iso 0 dist 8.4051 12.176 6.72323 15.5937 11.8207 6.2004 11.3566 9.92026 5.95834 4.82556 numMergedOcc 0
17 mol 24 unq 7 iso 0 dist 8.4051 12.176 6.72323 15.5937 11.8207 6.2004 9.83002 6.16544 4.2121 6.25108 numMergedOcc 0
18 mol 24 unq 8 iso 0 dist 8.4051 12.176 6.72323 15.5937 11.8207 6.2004 16.8439 10.2653 8.00171 7.72688 numMergedOcc 0
19 mol 24 unq 9 iso 0 dist 7.29868 6.66749 6.72323 11.1214 11.8207 6.2004 12.2059 9.92026 5.95834 4.82556 numMergedOcc 0
20 mol 24 unq 10 iso 0 dist 7.29868 6.66749 6.72323 11.1214 11.8207 6.2004 9.01567 6.16544 4.2121 6.25108 numMergedOcc 0
21 mol 24 unq 11 iso 0 dist 7.29868 6.66749 6.72323 11.1214 11.8207 6.2004 7.33768 10.2653 8.00171 7.72688 numMergedOcc 0
22 mol 24 unq 12 iso 0 dist 8.60554 14.012 6.72323 18.2639 11.8207 6.2004 17.592 9.92026 5.95834 4.82556 numMergedOcc 0
23 mol 24 unq 13 iso 0 dist 8.60554 14.012 6.72323 18.2639 11.8207 6.2004 13.4393 6.16544 4.2121 6.25108 numMergedOcc 0
24 mol 24 unq 14 iso 0 dist 8.60554 14.012 6.72323 18.2639 11.8207 6.2004 12.9284 10.2653 8.00171 7.72688 numMergedOcc 0
25 mol 92 unq 0 iso 0 dist 7.52354 14.3301 9.91054 14.1162 9.98219 7.39179 11.3767 5.74171 9.60622 13.0644 numMergedOcc 0
26 mol 98 unq 0 iso 0 dist 6.65501 7.06961 6.88901 7.26086 11.2092 8.43352 11.3043 10.2754 7.36769 8.02554 numMergedOcc 0
27 mol 129 unq 0 iso 0 dist 9.36851 4.55551 9.73158 10.0483 5.51078 9.98397 4.97175 5.41583 7.59327 6.80501 numMergedOcc 0
28 mol 129 unq 1 iso 0 dist 9.36851 4.55551 9.73158 8.03372 6.84211 9.94578 4.97175 5.41583 7.59327 4.53459 numMergedOcc 0
29 mol 129 unq 2 iso 0 dist 4.97175 4.55551 7.59327 10.0483 6.80501 9.98397 9.36851 5.41583 9.73158 5.51078 numMergedOcc 0
30 mol 129 unq 3 iso 0 dist 4.97175 4.55551 7.59327 8.03372 4.53459 9.94578 9.36851 5.41583 9.73158 6.84211 numMergedOcc 0
31 mol 156 unq 0 iso 0 dist 7.30357 5.81563 8.21184 5.38091 12.4049 7.46845 8.61587 6.12113 5.9976 11.7015 numMergedOcc 0
32 mol 156 unq 1 iso 0 dist 8.61587 5.81563 5.9976 5.38091 11.7015 7.46845 7.30357 6.12113 8.21184 12.4049 numMergedOcc 0
33 mol 171 unq 0 iso 0 dist 9.61462 11.5561 5.25109 18.0501 9.54524 7.32555 11.1373 7.9115 7.22518 9.8515 numMergedOcc 0
34 mol 171 unq 1 iso 0 dist 6.64834 4.78075 5.25109 12.6307 9.18337 8.1536 9.85653 3.98338 8.21618 8.83874 numMergedOcc 0
35 mol 171 unq 2 iso 0 dist 5.93786 7.9651 5.25109 14.2846 9.18337 8.1536 8.1344 3.98338 8.21618 8.83874 numMergedOcc 0
36 mol 171 unq 3 iso 0 dist 8.24693 12.6853 5.25109 15.3908 9.18337 8.1536 6.71356 3.98338 8.21618 8.83874 numMergedOcc 0
37 mol 171 unq 4 iso 0 dist 7.36698 5.90026 5.25109 13.1421 9.18337 8.1536 11.3469 3.98338 8.21618 8.83874 numMergedOcc 0
38 mol 171 unq 5 iso 0 dist 8.1344 7.9651 8.21618 14.2846 8.83874 8.1536 5.93786 3.98338 5.25109 9.18337 numMergedOcc 0
39 mol 171 unq 6 iso 0 dist 6.71356 12.6853 8.21618 15.3908 8.83874 8.1536 8.24693 3.98338 5.25109 9.18337 numMergedOcc 0
40 mol 194 unq 0 iso 0 dist 8.65535 11.6598 6.1886 6.26839 5.92931 5.68348 12.4952 9.4131 6.38324 7.50057 numMergedOcc 0
41 mol 194 unq 1 iso 0 dist 6.72379 7.11753 6.38324 8.83356 7.50057 5.68348 12.645 9.4131 6.1886 5.92931 numMergedOcc 0
42 mol 232 unq 0 iso 0 dist 9.05071 4.9377 9.8664 7.83711 13.8622 6.57921 13.7227 16.4381 9.78181 7.86594 numMergedOcc 0
43 mol 274 unq 0 iso 0 dist 9.85289 5.29529 6.88827 9.56685 5.36428 8.2997 14.1515 11.6106 9.16942 14.986 numMergedOcc 0
