0 mol 7 unq 0 iso 0 dist 9.60499 6.7985 6.55304 8.43473 6.02702 6.14469 14.3576 6.58469 12.4861 8.60435 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 9.68596 14.7759 5.03847 10.3148 6.14469 11.8684 15.6193 12.4861 8.60435 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.57077 9.62394 9.5997 16.147 14.519 7.35972 21.9534 19.043 13.7528 6.59455 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 7.20519 7.75618 4.96411 4.97119 10.741 9.95212 6.92532 12.3486 13.9675 6.39966 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 8.4674 8.40416 9.74255 4.64838 6.41575 9.95212 10.1882 5.18512 13.9675 6.39966 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 4.54938 7.75618 9.74255 4.97119 6.41575 9.95212 6.92532 5.18512 13.9675 6.39966 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 4.51865 8.40416 7.08342 4.64838 6.41423 9.95212 10.1882 9.47529 13.9675 6.39966 numMergedOcc 0
7 mol 19 unq 4 iso 0 dist 6.864 7.75618 7.08342 4.97119 6.41423 9.95212 6.92532 9.47529 13.9675 6.39966 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 6.86014 7.33768 4.32034 6.66749 9.41441 8.00171 11.1214 11.1124 7.72688 6.2004 numMergedOcc 0
9 mol 24 unq 1 iso 0 dist 6.86014 9.01567 8.67951 6.66749 9.41441 4.2121 11.1214 11.1124 6.25108 6.2004 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 6.86014 7.29868 8.52463 6.66749 9.41441 6.72323 11.1214 11.1124 11.8207 6.2004 numMergedOcc 0
11 mol 24 unq 3 iso 0 dist 6.86014 9.41441 6.66749 4.32034 7.33768 8.00171 6.60423 6.00575 11.9395 9.69752 numMergedOcc 0
12 mol 24 unq 4 iso 0 dist 6.86014 9.41441 6.66749 8.52463 7.29868 6.72323 13.0257 12.0003 10.0715 4.90592 numMergedOcc 0
13 mol 24 unq 5 iso 0 dist 6.86014 9.41441 6.66749 8.52463 7.29868 6.72323 6.60423 6.00575 11.9395 9.36461 numMergedOcc 0
14 mol 24 unq 6 iso 0 dist 8.86116 8.60554 8.52463 14.012 9.41441 6.72323 18.2639 11.1124 11.8207 6.2004 numMergedOcc 0
15 mol 24 unq 7 iso 0 dist 8.86116 9.41441 14.012 4.32034 12.9284 8.00171 6.60423 5.97304 11.9395 9.69752 numMergedOcc 0
16 mol 24 unq 8 iso 0 dist 8.86116 9.41441 14.012 8.52463 8.60554 6.72323 13.0257 11.2106 10.0715 4.90592 numMergedOcc 0
17 mol 24 unq 9 iso 0 dist 8.86116 9.41441 14.012 8.52463 8.60554 6.72323 6.60423 5.97304 11.9395 9.36461 numMergedOcc 0
18 mol 24 unq 10 iso 0 dist 8.38394 8.60554 12.3994 14.012 15.392 6.72323 18.2639 16.7963 11.8207 6.2004 numMergedOcc 0
19 mol 24 unq 11 iso 0 dist 5.54419 8.4051 5.11617 12.176 6.73939 6.72323 15.5937 10.2913 11.8207 6.2004 numMergedOcc 0
20 mol 24 unq 12 iso 0 dist 5.54419 6.73939 12.176 11.9112 16.8439 8.00171 14.156 17.4067 11.9395 9.69752 numMergedOcc 0
21 mol 24 unq 13 iso 0 dist 5.54419 6.73939 12.176 5.11617 8.4051 6.72323 4.93188 4.33963 10.0715 4.90592 numMergedOcc 0
22 mol 24 unq 14 iso 0 dist 5.54419 6.73939 12.176 5.11617 8.4051 6.72323 14.156 17.4067 11.9395 9.36461 numMergedOcc 0
23 mol 24 unq 15 iso 0 dist 7.36323 8.4051 13.2229 12.176 18.673 6.72323 15.5937 22.0948 11.8207 6.2004 numMergedOcc 0
24 mol 60 unq 0 iso 0 dist 8.7531 9.90939 7.04075 5.94827 11.816 8.97364 7.55695 9.62257 4.82351 4.65127 numMergedOcc 0
25 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 7.06961 6.7117 6.88901 7.26086 7.32662 11.2092 8.43352 numMergedOcc 0
26 mol 98 unq 1 iso 0 dist 6.48948 6.65501 7.42446 7.06961 9.42961 6.88901 7.26086 13.4985 11.2092 8.43352 numMergedOcc 0
27 mol 98 unq 2 iso 0 dist 6.10456 6.65501 9.67482 7.06961 4.47349 6.88901 7.26086 6.934 11.2092 8.43352 numMergedOcc 0
28 mol 129 unq 0 iso 0 dist 5.83384 9.36851 10.7293 4.55551 6.28565 9.73158 10.0483 8.11992 5.51078 9.98397 numMergedOcc 0
29 mol 129 unq 1 iso 0 dist 5.83384 9.36851 10.7293 4.55551 6.28565 9.73158 8.03372 6.67948 6.84211 9.94578 numMergedOcc 0
30 mol 129 unq 2 iso 0 dist 5.83384 4.97175 7.29399 4.55551 6.28565 7.59327 10.0483 8.11992 6.80501 9.98397 numMergedOcc 0
31 mol 129 unq 3 iso 0 dist 5.83384 4.97175 7.29399 4.55551 6.28565 7.59327 8.03372 6.67948 4.53459 9.94578 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 9.89303 5.83771 7.41674 4.60632 7.69991 6.40575 13.6079 13.1292 14.2253 9.30061 numMergedOcc 0
33 mol 134 unq 1 iso 0 dist 6.54501 7.80532 7.41674 5.71679 7.69991 6.40575 13.846 13.1292 14.2253 9.30061 numMergedOcc 0
34 mol 134 unq 2 iso 0 dist 6.49416 7.80532 9.87376 5.71679 6.23142 6.40575 13.846 9.4027 14.2253 9.30061 numMergedOcc 0
35 mol 156 unq 0 iso 0 dist 8.34702 7.30357 10.4977 5.81563 13.0658 8.21184 5.38091 10.7023 12.4049 7.46845 numMergedOcc 0
36 mol 156 unq 1 iso 0 dist 8.34702 8.61587 12.4274 5.81563 13.0658 5.9976 5.38091 10.7023 11.7015 7.46845 numMergedOcc 0
37 mol 156 unq 2 iso 0 dist 9.06726 7.30357 12.3086 5.81563 11.5017 8.21184 5.38091 9.00862 12.4049 7.46845 numMergedOcc 0
38 mol 156 unq 3 iso 0 dist 9.06726 8.61587 10.9151 5.81563 11.5017 5.9976 5.38091 9.00862 11.7015 7.46845 numMergedOcc 0
39 mol 156 unq 4 iso 0 dist 8.33171 7.30357 7.79535 5.81563 10.0063 8.21184 5.38091 11.1271 12.4049 7.46845 numMergedOcc 0
40 mol 156 unq 5 iso 0 dist 8.33171 8.61587 6.98125 5.81563 10.0063 5.9976 5.38091 11.1271 11.7015 7.46845 numMergedOcc 0
41 mol 181 unq 0 iso 0 dist 7.63312 5.9176 5.63555 6.29863 11.9764 7.22883 11.6563 13.5459 8.30281 7.11785 numMergedOcc 0
42 mol 232 unq 0 iso 0 dist 8.27212 9.05071 8.80479 4.9377 9.40808 9.8664 7.83711 8.25884 13.8622 6.57921 numMergedOcc 0
43 mol 232 unq 1 iso 0 dist 8.27212 9.40808 4.9377 8.80479 9.05071 9.8664 14.6969 14.8035 12.721 8.28466 numMergedOcc 0
44 mol 274 unq 0 iso 0 dist 7.56915 9.85289 6.20558 5.29529 8.52587 6.88827 9.56685 5.90436 5.36428 8.2997 numMergedOcc 0
45 mol 274 unq 1 iso 0 dist 8.49997 9.85289 11.4459 5.29529 11.6126 6.88827 9.56685 12.106 5.36428 8.2997 numMergedOcc 0
