0 mol 19 unq 0 iso 0 dist 7.20519 6.92532 12.3486 4.97119 10.741 6.39966 7.75618 4.96411 13.9675 9.95212 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 4.54938 6.92532 5.18512 4.97119 6.41575 6.39966 7.75618 9.74255 13.9675 9.95212 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 7.82074 6.36455 5.18512 6.01808 6.41575 6.39966 12.3215 9.74255 13.9675 9.95212 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 6.864 6.92532 9.47529 4.97119 6.41423 6.39966 7.75618 7.08342 13.9675 9.95212 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 4.32034 7.33768 9.69752 9.41441 6.66749 11.9395 8.00171 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.86014 6.60423 6.00575 8.52463 7.29868 9.36461 9.41441 6.66749 11.9395 6.72323 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 8.86116 6.60423 5.97304 4.32034 12.9284 9.69752 9.41441 14.012 11.9395 8.00171 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 8.86116 6.60423 5.97304 8.52463 8.60554 9.36461 9.41441 14.012 11.9395 6.72323 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 5.54419 4.93188 4.33963 5.11617 8.4051 4.90592 6.73939 12.176 10.0715 6.72323 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 7.36323 9.24958 4.33963 13.2229 8.4051 4.90592 18.673 12.176 10.0715 6.72323 numMergedOcc 0
10 mol 26 unq 0 iso 0 dist 8.34347 8.44506 13.2876 10.9837 18.1487 9.5053 11.9684 17.4462 5.66783 6.56527 numMergedOcc 0
11 mol 60 unq 0 iso 0 dist 8.90863 8.82176 13.0114 5.32257 12.1928 4.65127 11.6165 12.5049 4.82351 8.97364 numMergedOcc 0
12 mol 60 unq 1 iso 0 dist 8.33063 9.96399 9.62257 11.2415 11.816 4.65127 10.5084 7.04075 4.82351 8.97364 numMergedOcc 0
13 mol 60 unq 2 iso 0 dist 8.7531 7.55695 9.62257 5.94827 11.816 4.65127 9.90939 7.04075 4.82351 8.97364 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 9.38498 7.04044 15.7304 5.11416 13.8696 6.48232 12.1382 20.1729 7.86177 8.87464 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 9.96396 7.04044 8.26458 5.11416 9.24757 6.48232 12.1382 6.29906 7.86177 8.87464 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 6.19304 8.73253 8.26458 6.56633 9.24757 6.48232 10.2755 6.29906 7.86177 8.87464 numMergedOcc 0
17 mol 73 unq 3 iso 0 dist 9.75218 7.04044 8.35241 5.11416 13.0145 6.48232 12.1382 14.8598 7.86177 8.87464 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 7.97049 7.1589 6.37974 9.29301 9.82915 8.70863 14.4725 10.4987 8.31077 9.66222 numMergedOcc 0
19 mol 85 unq 1 iso 0 dist 7.95579 8.00777 5.08358 11.165 12.0078 8.70863 15.6553 12.568 8.31077 9.66222 numMergedOcc 0
20 mol 85 unq 2 iso 0 dist 6.19965 7.1589 5.08358 9.29301 12.0078 8.70863 14.4725 12.568 8.31077 9.66222 numMergedOcc 0
21 mol 98 unq 0 iso 0 dist 5.08437 7.26086 7.32662 7.06961 6.7117 8.43352 11.3043 7.94178 8.02554 7.36769 numMergedOcc 0
22 mol 98 unq 1 iso 0 dist 5.08437 7.26086 7.32662 7.06961 6.7117 8.43352 6.65501 4.4057 11.2092 6.88901 numMergedOcc 0
23 mol 98 unq 2 iso 0 dist 6.48948 7.26086 13.4985 7.06961 9.42961 8.43352 11.3043 15.7178 8.02554 7.36769 numMergedOcc 0
24 mol 98 unq 3 iso 0 dist 6.48948 7.26086 13.4985 7.06961 9.42961 8.43352 6.65501 7.42446 11.2092 6.88901 numMergedOcc 0
25 mol 98 unq 4 iso 0 dist 6.10456 7.26086 6.934 7.06961 4.47349 8.43352 11.3043 9.85543 8.02554 7.36769 numMergedOcc 0
26 mol 98 unq 5 iso 0 dist 6.10456 7.26086 6.934 7.06961 4.47349 8.43352 6.65501 9.67482 11.2092 6.88901 numMergedOcc 0
27 mol 112 unq 0 iso 0 dist 9.60462 8.729 11.0629 5.39346 10.1861 9.77017 10.7886 13.2091 7.22444 7.80873 numMergedOcc 0
28 mol 112 unq 1 iso 0 dist 7.45389 8.729 5.48848 5.39346 10.15 9.77017 10.7886 11.0959 7.22444 7.80873 numMergedOcc 0
29 mol 114 unq 0 iso 0 dist 7.5732 6.34525 11.128 12.7083 19.2926 9.35942 14.1487 20.7033 10.5177 8.42878 numMergedOcc 0
30 mol 129 unq 0 iso 0 dist 5.83384 8.03372 6.67948 4.55551 6.28565 9.94578 9.36851 10.7293 6.84211 9.73158 numMergedOcc 0
31 mol 129 unq 1 iso 0 dist 5.83384 8.03372 6.67948 4.55551 6.28565 9.94578 4.97175 7.29399 4.53459 7.59327 numMergedOcc 0
32 mol 131 unq 0 iso 0 dist 8.40312 8.86329 5.89022 10.3369 11.8327 8.92828 15.5509 14.3406 11.6708 5.87084 numMergedOcc 0
33 mol 131 unq 1 iso 0 dist 7.12972 8.71039 5.89022 7.92788 11.8327 8.92828 11.8964 14.3406 11.6708 5.87084 numMergedOcc 0
34 mol 131 unq 2 iso 0 dist 7.12972 6.92648 9.32969 7.92788 11.8327 5.44303 11.8964 14.3406 5.66194 5.87084 numMergedOcc 0
35 mol 131 unq 3 iso 0 dist 6.85062 9.29384 9.32969 13.1439 11.8327 5.44303 14.9021 14.3406 5.66194 5.87084 numMergedOcc 0
36 mol 134 unq 0 iso 0 dist 8.94367 8.20836 9.4027 4.57832 6.23142 9.30061 10.5252 9.87376 14.2253 6.40575 numMergedOcc 0
37 mol 134 unq 1 iso 0 dist 9.86662 8.20836 5.12325 4.57832 9.94764 9.30061 10.5252 14.9876 14.2253 6.40575 numMergedOcc 0
38 mol 156 unq 0 iso 0 dist 8.34702 5.38091 10.7023 5.81563 13.0658 7.46845 7.30357 10.4977 12.4049 8.21184 numMergedOcc 0
39 mol 156 unq 1 iso 0 dist 8.34702 5.38091 10.7023 5.81563 13.0658 7.46845 8.61587 12.4274 11.7015 5.9976 numMergedOcc 0
40 mol 156 unq 2 iso 0 dist 9.06726 5.38091 9.00862 5.81563 11.5017 7.46845 7.30357 12.3086 12.4049 8.21184 numMergedOcc 0
41 mol 156 unq 3 iso 0 dist 9.06726 5.38091 9.00862 5.81563 11.5017 7.46845 8.61587 10.9151 11.7015 5.9976 numMergedOcc 0
42 mol 156 unq 4 iso 0 dist 8.33171 5.38091 11.1271 5.81563 10.0063 7.46845 7.30357 7.79535 12.4049 8.21184 numMergedOcc 0
43 mol 156 unq 5 iso 0 dist 8.33171 5.38091 11.1271 5.81563 10.0063 7.46845 8.61587 6.98125 11.7015 5.9976 numMergedOcc 0
44 mol 181 unq 0 iso 0 dist 9.1374 6.51749 13.8722 5.6044 14.2254 7.11785 11.602 19.8145 8.30281 7.22883 numMergedOcc 0
45 mol 181 unq 1 iso 0 dist 5.98885 6.51749 5.93488 5.6044 9.72611 7.11785 11.602 12.7358 8.30281 7.22883 numMergedOcc 0
46 mol 181 unq 2 iso 0 dist 9.09537 7.20392 5.93488 12.9468 9.72611 7.11785 14.8662 12.7358 8.30281 7.22883 numMergedOcc 0
47 mol 181 unq 3 iso 0 dist 9.15386 6.51749 7.64267 5.6044 10.428 7.11785 11.602 11.1467 8.30281 7.22883 numMergedOcc 0
48 mol 232 unq 0 iso 0 dist 8.27212 7.83711 8.25884 4.9377 9.40808 6.57921 13.7227 12.5452 7.86594 9.78181 numMergedOcc 0
49 mol 232 unq 1 iso 0 dist 8.27212 7.83711 8.25884 4.9377 9.40808 6.57921 9.05071 8.80479 13.8622 9.8664 numMergedOcc 0
50 mol 274 unq 0 iso 0 dist 7.56915 9.56685 5.90436 5.29529 8.52587 8.2997 9.85289 6.20558 5.36428 6.88827 numMergedOcc 0
51 mol 274 unq 1 iso 0 dist 7.56915 9.56685 5.90436 5.29529 8.52587 8.2997 14.1515 16.3619 14.986 9.16942 numMergedOcc 0
52 mol 274 unq 2 iso 0 dist 8.49997 9.56685 12.106 5.29529 11.6126 8.2997 9.85289 11.4459 5.36428 6.88827 numMergedOcc 0
53 mol 274 unq 3 iso 0 dist 8.49997 9.56685 12.106 5.29529 11.6126 8.2997 14.1515 19.3878 14.986 9.16942 numMergedOcc 0
