0 mol 5 unq 0 iso 0 dist 5.18743 5.0634 7.56866 9.34574 5.30421 9.22067 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 5.98169 13.5108 9.28621 13.9048 8.67111 8.51428 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 6.14086 4.81564 5.42412 6.31487 3.70336 8.09862 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 6.14086 4.81564 5.42412 7.07851 5.1533 8.89114 numMergedOcc 0
4 mol 28 unq 3 iso 0 dist 6.76158 6.18197 5.42412 7.423 3.70336 8.09862 numMergedOcc 0
5 mol 28 unq 4 iso 0 dist 6.76158 6.18197 5.42412 5.89257 5.1533 8.89114 numMergedOcc 0
6 mol 28 unq 5 iso 0 dist 6.31487 4.81564 8.09862 6.14086 3.70336 5.42412 numMergedOcc 0
7 mol 28 unq 6 iso 0 dist 6.31487 4.81564 8.09862 7.07851 3.0988 8.89114 numMergedOcc 0
8 mol 28 unq 7 iso 0 dist 6.31487 12.7577 8.97167 7.07851 3.0988 8.8182 numMergedOcc 0
9 mol 28 unq 8 iso 0 dist 7.423 6.18197 8.09862 6.76158 3.70336 5.42412 numMergedOcc 0
10 mol 28 unq 9 iso 0 dist 7.423 6.18197 8.09862 5.89257 3.0988 8.89114 numMergedOcc 0
11 mol 28 unq 10 iso 0 dist 7.423 13.6562 8.97167 5.89257 3.0988 8.8182 numMergedOcc 0
12 mol 28 unq 11 iso 0 dist 7.07851 4.81564 8.89114 6.14086 5.1533 5.42412 numMergedOcc 0
13 mol 28 unq 12 iso 0 dist 7.07851 4.81564 8.89114 6.31487 3.0988 8.09862 numMergedOcc 0
14 mol 28 unq 13 iso 0 dist 7.07851 12.7577 8.8182 6.31487 3.0988 8.97167 numMergedOcc 0
15 mol 28 unq 14 iso 0 dist 5.89257 6.18197 8.89114 6.76158 5.1533 5.42412 numMergedOcc 0
16 mol 28 unq 15 iso 0 dist 5.89257 6.18197 8.89114 7.423 3.0988 8.09862 numMergedOcc 0
17 mol 28 unq 16 iso 0 dist 5.89257 13.6562 8.8182 7.423 3.0988 8.97167 numMergedOcc 0
18 mol 48 unq 0 iso 0 dist 9.80453 15.0045 7.90416 21.5962 14.9999 9.74553 numMergedOcc 0
19 mol 85 unq 0 iso 0 dist 7.61514 9.04544 8.67342 8.21116 2.58673 8.60062 numMergedOcc 0
20 mol 85 unq 1 iso 0 dist 7.61514 4.11312 5.73739 8.21116 2.58673 5.16225 numMergedOcc 0
21 mol 85 unq 2 iso 0 dist 8.21116 9.04544 8.60062 7.61514 2.58673 8.67342 numMergedOcc 0
22 mol 85 unq 3 iso 0 dist 8.21116 4.11312 5.16225 7.61514 2.58673 5.73739 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 5.24882 5.57673 6.38786 11.6503 10.2275 9.31435 numMergedOcc 0
24 mol 168 unq 0 iso 0 dist 8.47439 7.36888 5.52214 9.57924 6.37254 5.64732 numMergedOcc 0
25 mol 168 unq 1 iso 0 dist 8.47439 7.36888 5.52214 12.6902 6.81049 5.80055 numMergedOcc 0
26 mol 168 unq 2 iso 0 dist 8.47439 7.36888 5.52214 13.2373 5.50898 7.44481 numMergedOcc 0
27 mol 176 unq 0 iso 0 dist 9.1617 12.7186 9.1728 10.5723 4.47711 9.84239 numMergedOcc 0
28 mol 176 unq 1 iso 0 dist 9.1617 12.7186 9.1728 12.0065 3.47516 8.0255 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 6.9943 4.80695 9.90506 7.36685 5.76129 8.61077 numMergedOcc 0
30 mol 266 unq 1 iso 0 dist 6.9943 4.80695 9.90506 9.03099 8.75066 9.11585 numMergedOcc 0
31 mol 266 unq 2 iso 0 dist 7.36685 8.13583 6.39822 9.03099 3.00605 5.36518 numMergedOcc 0
32 mol 266 unq 3 iso 0 dist 7.36685 4.80695 8.61077 6.9943 5.76129 9.90506 numMergedOcc 0
33 mol 266 unq 4 iso 0 dist 7.36685 4.80695 8.61077 9.03099 3.00605 9.11585 numMergedOcc 0
34 mol 266 unq 5 iso 0 dist 9.20906 10.2082 5.36518 11.936 3.00605 6.39822 numMergedOcc 0
35 mol 266 unq 6 iso 0 dist 9.20906 13.6949 9.11585 17.4571 8.75066 9.90506 numMergedOcc 0
36 mol 266 unq 7 iso 0 dist 9.20906 13.6949 9.11585 11.936 3.00605 8.61077 numMergedOcc 0
37 mol 266 unq 8 iso 0 dist 9.03099 8.13583 5.36518 7.36685 3.00605 6.39822 numMergedOcc 0
38 mol 266 unq 9 iso 0 dist 9.03099 4.80695 9.11585 6.9943 8.75066 9.90506 numMergedOcc 0
39 mol 266 unq 10 iso 0 dist 9.03099 4.80695 9.11585 7.36685 3.00605 8.61077 numMergedOcc 0
40 mol 277 unq 0 iso 0 dist 7.34927 12.5125 8.90967 10.4568 3.75238 6.40861 numMergedOcc 0
41 mol 277 unq 1 iso 0 dist 7.54315 14.7276 8.90967 9.71134 3.75238 6.40861 numMergedOcc 0
42 mol 277 unq 2 iso 0 dist 7.88615 5.27072 6.40861 11.3903 3.75238 8.90967 numMergedOcc 0
43 mol 281 unq 0 iso 0 dist 8.78416 8.97987 9.06888 9.22428 3.77058 6.62682 numMergedOcc 0
44 mol 281 unq 1 iso 0 dist 9.22428 8.97987 6.62682 8.78416 3.77058 9.06888 numMergedOcc 0
45 mol 281 unq 2 iso 0 dist 7.82358 13.4167 9.06888 11.1162 3.77058 6.62682 numMergedOcc 0
46 mol 281 unq 3 iso 0 dist 7.95687 5.33399 6.62682 11.4532 3.77058 9.06888 numMergedOcc 0
