0 mol 5 unq 0 iso 0 dist 6.84403 6.46777 7.64769 5.18743 3.50411 8.68577 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 6.84403 6.46777 7.64769 9.34574 4.84696 9.70883 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 6.84403 3.82801 8.31759 5.18743 3.50411 8.13672 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 5.18743 6.46777 8.68577 6.84403 3.50411 7.64769 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 5.18743 6.46777 8.68577 9.34574 5.30421 9.70883 numMergedOcc 0
5 mol 5 unq 5 iso 0 dist 5.18743 3.82801 8.13672 6.84403 3.50411 8.31759 numMergedOcc 0
6 mol 28 unq 0 iso 0 dist 6.14086 6.82151 8.53424 6.31487 3.70336 7.08766 numMergedOcc 0
7 mol 28 unq 1 iso 0 dist 6.14086 6.82151 8.53424 7.07851 5.1533 4.82199 numMergedOcc 0
8 mol 28 unq 2 iso 0 dist 6.76158 4.3475 8.53424 7.423 3.70336 7.08766 numMergedOcc 0
9 mol 28 unq 3 iso 0 dist 6.76158 4.3475 8.53424 5.89257 5.1533 4.82199 numMergedOcc 0
10 mol 28 unq 4 iso 0 dist 6.31487 6.82151 7.08766 6.14086 3.70336 8.53424 numMergedOcc 0
11 mol 28 unq 5 iso 0 dist 6.31487 6.82151 7.08766 7.07851 3.0988 4.82199 numMergedOcc 0
12 mol 28 unq 6 iso 0 dist 7.423 4.3475 7.08766 6.76158 3.70336 8.53424 numMergedOcc 0
13 mol 28 unq 7 iso 0 dist 7.423 4.3475 7.08766 5.89257 3.0988 4.82199 numMergedOcc 0
14 mol 28 unq 8 iso 0 dist 7.07851 6.82151 4.82199 6.14086 5.1533 8.53424 numMergedOcc 0
15 mol 28 unq 9 iso 0 dist 7.07851 6.82151 4.82199 6.31487 3.0988 7.08766 numMergedOcc 0
16 mol 28 unq 10 iso 0 dist 5.89257 4.3475 4.82199 6.76158 5.1533 8.53424 numMergedOcc 0
17 mol 28 unq 11 iso 0 dist 5.89257 4.3475 4.82199 7.423 3.0988 7.08766 numMergedOcc 0
18 mol 46 unq 0 iso 0 dist 8.13664 8.59614 3.77542 16.6386 9.4824 9.97314 numMergedOcc 0
19 mol 76 unq 0 iso 0 dist 8.26805 6.27527 7.66068 9.68577 6.98219 9.5043 numMergedOcc 0
20 mol 76 unq 1 iso 0 dist 8.26805 6.27527 7.66068 11.3425 8.74837 8.34132 numMergedOcc 0
21 mol 76 unq 2 iso 0 dist 9.68577 6.27527 9.5043 8.26805 6.98219 7.66068 numMergedOcc 0
22 mol 76 unq 3 iso 0 dist 9.68577 6.27527 9.5043 11.3425 4.82479 8.34132 numMergedOcc 0
23 mol 83 unq 0 iso 0 dist 9.75749 5.2891 6.96722 9.65686 5.72008 7.61085 numMergedOcc 0
24 mol 85 unq 0 iso 0 dist 7.61514 10.8634 6.67137 8.21116 2.58673 7.04244 numMergedOcc 0
25 mol 85 unq 1 iso 0 dist 7.61514 15.0522 9.78707 8.21116 2.58673 9.63449 numMergedOcc 0
26 mol 85 unq 2 iso 0 dist 8.21116 10.8634 7.04244 7.61514 2.58673 6.67137 numMergedOcc 0
27 mol 85 unq 3 iso 0 dist 8.21116 15.0522 9.63449 7.61514 2.58673 9.78707 numMergedOcc 0
28 mol 93 unq 0 iso 0 dist 6.06155 7.0652 8.71366 10.7186 9.47916 5.20429 numMergedOcc 0
29 mol 113 unq 0 iso 0 dist 9.00481 9.83939 5.31126 12.7706 5.7147 4.49669 numMergedOcc 0
30 mol 113 unq 1 iso 0 dist 9.00481 9.83939 5.31126 15.5024 8.09465 6.00221 numMergedOcc 0
31 mol 113 unq 2 iso 0 dist 9.00481 9.2752 7.16619 12.7706 5.7147 5.88896 numMergedOcc 0
32 mol 113 unq 3 iso 0 dist 6.38269 10.3017 5.31126 7.11196 2.75715 7.16619 numMergedOcc 0
33 mol 113 unq 4 iso 0 dist 6.38269 10.3632 4.49669 7.11196 2.75715 5.88896 numMergedOcc 0
34 mol 113 unq 5 iso 0 dist 7.11196 10.3017 7.16619 6.38269 2.75715 5.31126 numMergedOcc 0
35 mol 113 unq 6 iso 0 dist 7.11196 10.3632 5.88896 6.38269 2.75715 4.49669 numMergedOcc 0
36 mol 120 unq 0 iso 0 dist 8.31527 5.79975 7.84207 7.64841 5.26524 6.98791 numMergedOcc 0
37 mol 120 unq 1 iso 0 dist 7.64841 5.79975 6.98791 8.31527 5.26524 7.84207 numMergedOcc 0
38 mol 123 unq 0 iso 0 dist 7.49032 11.4019 8.03692 14.9057 10.2185 5.56127 numMergedOcc 0
39 mol 123 unq 1 iso 0 dist 7.49032 11.4019 8.03692 15.9261 13.0033 5.36214 numMergedOcc 0
40 mol 123 unq 2 iso 0 dist 7.04627 8.90549 8.03692 11.7928 10.2185 5.56127 numMergedOcc 0
41 mol 123 unq 3 iso 0 dist 7.04627 8.90549 8.03692 13.6512 13.0033 5.36214 numMergedOcc 0
42 mol 168 unq 0 iso 0 dist 8.47439 4.18108 5.28353 9.57924 6.37254 5.86767 numMergedOcc 0
43 mol 169 unq 0 iso 0 dist 9.3206 9.93901 5.10589 12.4468 5.23644 4.63336 numMergedOcc 0
44 mol 169 unq 1 iso 0 dist 9.3206 9.93901 5.10589 15.4464 7.52063 6.10715 numMergedOcc 0
45 mol 186 unq 0 iso 0 dist 7.82717 4.32488 4.87942 8.19926 6.13455 7.25595 numMergedOcc 0
46 mol 186 unq 1 iso 0 dist 8.19926 4.32488 7.25595 7.82717 6.13455 4.87942 numMergedOcc 0
47 mol 194 unq 0 iso 0 dist 9.3032 12.2934 5.10542 12.7181 3.78714 4.68722 numMergedOcc 0
48 mol 194 unq 1 iso 0 dist 8.10451 11.2635 5.10542 6.6747 3.78714 4.68722 numMergedOcc 0
49 mol 194 unq 2 iso 0 dist 6.6747 11.2635 4.68722 8.10451 3.78714 5.10542 numMergedOcc 0
50 mol 194 unq 3 iso 0 dist 6.28412 5.18799 4.68722 9.07241 3.78714 5.10542 numMergedOcc 0
51 mol 260 unq 0 iso 0 dist 6.02628 5.30931 7.04263 8.98856 8.76827 6.48099 numMergedOcc 0
52 mol 260 unq 1 iso 0 dist 5.33278 8.90225 6.48099 10.5948 8.76827 7.04263 numMergedOcc 0
53 mol 266 unq 0 iso 0 dist 6.9943 4.58167 6.96692 7.36685 5.76129 8.25286 numMergedOcc 0
54 mol 266 unq 1 iso 0 dist 6.9943 4.58167 6.96692 9.03099 8.75066 9.9965 numMergedOcc 0
55 mol 266 unq 2 iso 0 dist 7.36685 7.98379 7.8598 9.03099 3.00605 7.80711 numMergedOcc 0
56 mol 266 unq 3 iso 0 dist 7.36685 4.58167 8.25286 6.9943 5.76129 6.96692 numMergedOcc 0
57 mol 266 unq 4 iso 0 dist 7.36685 4.58167 8.25286 9.03099 3.00605 9.9965 numMergedOcc 0
58 mol 266 unq 5 iso 0 dist 9.20906 10.0526 7.80711 11.936 3.00605 7.8598 numMergedOcc 0
59 mol 266 unq 6 iso 0 dist 9.20906 16.8584 9.9965 17.4571 8.75066 6.96692 numMergedOcc 0
60 mol 266 unq 7 iso 0 dist 9.20906 16.8584 9.9965 11.936 3.00605 8.25286 numMergedOcc 0
61 mol 266 unq 8 iso 0 dist 9.03099 7.98379 7.80711 7.36685 3.00605 7.8598 numMergedOcc 0
62 mol 266 unq 9 iso 0 dist 9.03099 4.58167 9.9965 6.9943 8.75066 6.96692 numMergedOcc 0
63 mol 266 unq 10 iso 0 dist 9.03099 4.58167 9.9965 7.36685 3.00605 8.25286 numMergedOcc 0
64 mol 277 unq 0 iso 0 dist 7.34927 8.92993 6.79748 10.4568 3.75238 6.53598 numMergedOcc 0
65 mol 277 unq 1 iso 0 dist 7.54315 10.4453 6.79748 9.71134 3.75238 6.53598 numMergedOcc 0
66 mol 277 unq 2 iso 0 dist 7.88615 10.6003 6.53598 11.3903 3.75238 6.79748 numMergedOcc 0
67 mol 281 unq 0 iso 0 dist 8.78416 10.564 6.69267 9.22428 3.77058 6.56886 numMergedOcc 0
68 mol 281 unq 1 iso 0 dist 9.22428 10.564 6.56886 8.78416 3.77058 6.69267 numMergedOcc 0
69 mol 281 unq 2 iso 0 dist 7.82358 9.45924 6.69267 11.1162 3.77058 6.56886 numMergedOcc 0
70 mol 281 unq 3 iso 0 dist 7.95687 10.8606 6.56886 11.4532 3.77058 6.69267 numMergedOcc 0
