0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 6.81066 10.6 5.28535 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 8.57077 8.47421 5.60154 7.38017 10.6533 6.21879 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 6.82505 9.78051 5.55659 7.88714 4.13564 6.93503 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 7.20519 8.78293 5.31524 6.50337 7.16903 4.73101 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 7.20519 8.23643 11.0832 6.50337 7.16903 12.9293 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 7.20519 7.82528 10.4988 6.50337 7.16903 13.3749 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 8.4674 6.20943 5.14627 6.10339 9.71584 7.27506 numMergedOcc 0
7 mol 19 unq 4 iso 0 dist 4.54938 8.78293 10.9543 6.50337 10.2774 4.73101 numMergedOcc 0
8 mol 19 unq 5 iso 0 dist 4.54938 8.23643 6.55187 6.50337 10.2774 12.9293 numMergedOcc 0
9 mol 19 unq 6 iso 0 dist 4.54938 7.82528 5.14627 6.50337 10.2774 13.3749 numMergedOcc 0
10 mol 19 unq 7 iso 0 dist 4.51865 6.20943 4.69858 6.10339 4.13497 7.27506 numMergedOcc 0
11 mol 19 unq 8 iso 0 dist 6.864 8.78293 11.4401 6.50337 10.3465 4.73101 numMergedOcc 0
12 mol 19 unq 9 iso 0 dist 6.864 8.23643 12.3093 6.50337 10.3465 12.9293 numMergedOcc 0
13 mol 19 unq 10 iso 0 dist 6.864 7.82528 4.69858 6.50337 10.3465 13.3749 numMergedOcc 0
14 mol 54 unq 0 iso 0 dist 9.5589 5.02241 6.91765 8.58658 14.436 11.2725 numMergedOcc 0
15 mol 54 unq 1 iso 0 dist 6.83299 5.02241 5.06052 8.58658 14.3129 11.2725 numMergedOcc 0
16 mol 54 unq 2 iso 0 dist 8.10861 5.02241 10.1332 8.58658 7.98156 11.2725 numMergedOcc 0
17 mol 72 unq 0 iso 0 dist 8.8178 6.77912 12.0644 4.69674 5.83438 9.58779 numMergedOcc 0
18 mol 72 unq 1 iso 0 dist 9.96708 6.77912 7.11552 4.69674 11.8198 9.58779 numMergedOcc 0
19 mol 73 unq 0 iso 0 dist 5.93252 5.64598 9.77992 6.13011 4.22425 7.17738 numMergedOcc 0
20 mol 88 unq 0 iso 0 dist 9.36773 9.2603 6.95868 9.54952 11.9839 5.62882 numMergedOcc 0
21 mol 88 unq 1 iso 0 dist 8.31336 9.2603 6.97239 9.54952 10.6664 5.62882 numMergedOcc 0
22 mol 114 unq 0 iso 0 dist 7.35754 8.68821 5.33327 8.06359 3.9247 4.62296 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 9.87172 9.38288 11.7228 8.20715 4.55137 10.6301 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 9.87172 6.19042 6.35763 8.20715 4.55137 4.15435 numMergedOcc 0
25 mol 119 unq 2 iso 0 dist 9.87172 7.44174 7.36192 8.20715 4.55137 9.54775 numMergedOcc 0
26 mol 119 unq 3 iso 0 dist 6.18601 9.80862 9.35964 6.16081 7.36889 6.69435 numMergedOcc 0
27 mol 119 unq 4 iso 0 dist 6.18601 8.43904 10.3457 6.16081 7.36889 4.15435 numMergedOcc 0
28 mol 127 unq 0 iso 0 dist 8.14887 8.59981 14.9761 8.82676 6.3084 16.7971 numMergedOcc 0
29 mol 127 unq 1 iso 0 dist 8.14887 7.34519 7.41404 8.82676 6.3084 6.16606 numMergedOcc 0
30 mol 127 unq 2 iso 0 dist 9.30299 8.59981 14.085 8.82676 12.4721 16.7971 numMergedOcc 0
31 mol 127 unq 3 iso 0 dist 9.30299 7.34519 13.1312 8.82676 12.4721 6.16606 numMergedOcc 0
32 mol 132 unq 0 iso 0 dist 7.7059 6.03703 9.92344 5.36351 6.6218 9.99932 numMergedOcc 0
33 mol 155 unq 0 iso 0 dist 6.43582 9.38946 12.8482 6.89245 4.47054 13.0273 numMergedOcc 0
34 mol 155 unq 1 iso 0 dist 6.43582 7.36102 8.27726 6.89245 4.47054 9.97388 numMergedOcc 0
35 mol 167 unq 0 iso 0 dist 9.87651 8.62646 6.58937 5.72735 6.38496 4.34476 numMergedOcc 0
36 mol 175 unq 0 iso 0 dist 9.29945 9.52634 9.11521 6.62757 13.4456 14.6281 numMergedOcc 0
37 mol 175 unq 1 iso 0 dist 9.29945 9.52634 9.11521 9.36354 14.5359 9.23083 numMergedOcc 0
38 mol 182 unq 0 iso 0 dist 9.31746 6.73313 11.1088 9.07173 9.87473 13.8801 numMergedOcc 0
39 mol 192 unq 0 iso 0 dist 5.59424 8.36822 5.71262 8.63044 10.375 7.31685 numMergedOcc 0
40 mol 205 unq 0 iso 0 dist 6.03031 9.19704 8.66809 7.23959 9.73907 10.0576 numMergedOcc 0
41 mol 205 unq 1 iso 0 dist 7.26832 9.19704 6.23291 7.23959 12.3578 10.0576 numMergedOcc 0
42 mol 205 unq 2 iso 0 dist 7.80463 9.19704 13.231 7.23959 6.06996 10.0576 numMergedOcc 0
43 mol 220 unq 0 iso 0 dist 9.23153 6.84247 6.7067 4.96654 13.231 8.73255 numMergedOcc 0
44 mol 220 unq 1 iso 0 dist 9.23153 6.99002 15.9568 4.96654 13.231 3.91203 numMergedOcc 0
45 mol 220 unq 2 iso 0 dist 8.24498 6.84247 6.05129 4.96654 7.35133 8.73255 numMergedOcc 0
46 mol 220 unq 3 iso 0 dist 8.24498 6.99002 11.1321 4.96654 7.35133 3.91203 numMergedOcc 0
47 mol 222 unq 0 iso 0 dist 8.01589 6.82208 4.8892 8.36659 6.24593 5.90766 numMergedOcc 0
48 mol 222 unq 1 iso 0 dist 8.01589 6.82208 4.8892 9.18913 6.80274 10.7441 numMergedOcc 0
49 mol 222 unq 2 iso 0 dist 7.7699 6.82208 11.0074 8.36659 7.27562 5.90766 numMergedOcc 0
50 mol 222 unq 3 iso 0 dist 7.7699 6.82208 11.0074 9.18913 8.72187 10.7441 numMergedOcc 0
51 mol 222 unq 4 iso 0 dist 7.21333 6.82208 12.2813 8.36659 10.367 5.90766 numMergedOcc 0
52 mol 222 unq 5 iso 0 dist 7.21333 6.82208 12.2813 9.18913 12.4303 10.7441 numMergedOcc 0
53 mol 234 unq 0 iso 0 dist 8.41436 6.16063 11.3297 9.18589 10.3659 14.9393 numMergedOcc 0
54 mol 234 unq 1 iso 0 dist 8.92474 6.16063 10.2563 9.18589 10.4355 14.9393 numMergedOcc 0
55 mol 235 unq 0 iso 0 dist 5.4638 8.21247 4.65302 8.95981 4.60986 6.84517 numMergedOcc 0
56 mol 265 unq 0 iso 0 dist 8.4218 6.34034 6.43013 8.95701 5.78373 6.25678 numMergedOcc 0
57 mol 272 unq 0 iso 0 dist 8.48753 7.67853 6.64985 8.97468 9.96676 9.51922 numMergedOcc 0
58 mol 277 unq 0 iso 0 dist 9.7748 9.41725 6.58374 6.64082 10.9417 6.25097 numMergedOcc 0
