0 mol 43 unq 0 iso 0 dist 8.47617 17.2393 9.74445 15.1595 8.80331 10.323 10.7814 9.83618 12.8035 10.4442 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.47617 17.2393 9.74445 8.14351 6.20293 14.445 10.7814 9.83618 12.8035 9.49077 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.13476 12.423 6.59893 13.1047 9.5589 11.9881 6.2425 5.02241 10.8658 6.91765 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 6.13476 12.423 6.59893 10.0565 6.83299 10.3564 6.2425 5.02241 10.8658 5.06052 numMergedOcc 0
4 mol 54 unq 2 iso 0 dist 6.13476 12.423 6.59893 5.77448 8.10861 12.4254 6.2425 5.02241 10.8658 10.1332 numMergedOcc 0
5 mol 54 unq 3 iso 0 dist 6.13476 9.45804 5.59773 13.1047 9.5589 13.9079 6.2425 5.02241 10.352 6.91765 numMergedOcc 0
6 mol 54 unq 4 iso 0 dist 6.13476 9.45804 5.59773 10.0565 6.83299 10.4238 6.2425 5.02241 10.352 5.06052 numMergedOcc 0
7 mol 54 unq 5 iso 0 dist 6.13476 9.45804 5.59773 5.77448 8.10861 10.1356 6.2425 5.02241 10.352 10.1332 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 9.0847 17.3026 9.10619 14.8573 8.56324 9.66339 12.6562 9.13561 10.5988 5.99333 numMergedOcc 0
9 mol 152 unq 1 iso 0 dist 9.0847 17.3026 9.10619 8.41711 6.70283 13.9994 12.6562 9.13561 10.5988 8.25411 numMergedOcc 0
10 mol 152 unq 2 iso 0 dist 9.0847 17.3026 9.10619 4.82496 7.16148 14.2552 12.6562 9.13561 10.5988 7.89109 numMergedOcc 0
11 mol 178 unq 0 iso 0 dist 7.14849 7.17894 8.0974 6.96904 6.69288 12.2822 8.42124 8.96511 11.6559 10.5783 numMergedOcc 0
12 mol 178 unq 1 iso 0 dist 7.14849 7.17894 8.0974 7.57303 6.43573 12.4338 8.42124 8.96511 11.6559 5.96647 numMergedOcc 0
13 mol 178 unq 2 iso 0 dist 7.14849 7.17894 8.0974 14.0459 7.17202 13.9722 8.42124 8.96511 11.6559 12.075 numMergedOcc 0
14 mol 178 unq 3 iso 0 dist 7.14849 7.17894 8.0974 14.3001 8.81551 13.5599 8.42124 8.96511 11.6559 9.92132 numMergedOcc 0
15 mol 178 unq 4 iso 0 dist 8.63718 15.0874 8.0974 11.5509 6.69288 12.2822 8.15374 8.96511 11.6559 10.5783 numMergedOcc 0
16 mol 178 unq 5 iso 0 dist 8.63718 15.0874 8.0974 7.31401 6.43573 12.4338 8.15374 8.96511 11.6559 5.96647 numMergedOcc 0
17 mol 178 unq 6 iso 0 dist 8.63718 15.0874 8.0974 5.91018 7.17202 13.9722 8.15374 8.96511 11.6559 12.075 numMergedOcc 0
18 mol 178 unq 7 iso 0 dist 8.63718 15.0874 8.0974 4.92895 8.81551 13.5599 8.15374 8.96511 11.6559 9.92132 numMergedOcc 0
19 mol 197 unq 0 iso 0 dist 9.14737 15.3424 8.64255 9.23779 8.56633 11.8861 7.69844 8.99696 10.1284 9.82139 numMergedOcc 0
20 mol 197 unq 1 iso 0 dist 9.14737 15.3424 8.64255 9.23779 8.56633 11.8861 15.0242 7.85058 9.91133 8.72637 numMergedOcc 0
21 mol 197 unq 2 iso 0 dist 9.14737 15.3424 8.64255 9.23779 8.56633 11.8861 12.1399 9.96638 8.50763 5.69148 numMergedOcc 0
22 mol 224 unq 0 iso 0 dist 9.61379 13.0098 6.56437 9.57016 8.95269 14.2632 4.53973 7.06793 11.7838 9.36098 numMergedOcc 0
23 mol 224 unq 1 iso 0 dist 9.61379 13.0098 6.56437 9.57016 8.95269 14.2632 5.98813 6.67585 10.4999 5.29877 numMergedOcc 0
24 mol 224 unq 2 iso 0 dist 9.61379 12.6599 6.23882 9.57016 8.95269 15.0038 4.53973 7.06793 9.57742 9.36098 numMergedOcc 0
25 mol 224 unq 3 iso 0 dist 9.61379 12.6599 6.23882 9.57016 8.95269 15.0038 5.98813 6.67585 12.0368 5.29877 numMergedOcc 0
26 mol 224 unq 4 iso 0 dist 9.61379 5.1945 9.53131 9.57016 8.95269 9.59595 4.53973 7.06793 8.30442 9.36098 numMergedOcc 0
27 mol 224 unq 5 iso 0 dist 9.61379 5.1945 9.53131 9.57016 8.95269 9.59595 5.98813 6.67585 4.63666 5.29877 numMergedOcc 0
28 mol 224 unq 6 iso 0 dist 9.61379 4.72179 9.34636 9.57016 8.95269 5.63485 4.53973 7.06793 5.46434 9.36098 numMergedOcc 0
29 mol 224 unq 7 iso 0 dist 9.61379 4.72179 9.34636 9.57016 8.95269 5.63485 5.98813 6.67585 5.03449 5.29877 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 8.39522 11.1968 9.75174 4.88998 6.57393 13.477 10.4124 6.91569 5.1967 10.9761 numMergedOcc 0
31 mol 248 unq 0 iso 0 dist 9.5107 10.5215 8.71859 11.8955 7.69895 4.53213 7.39322 6.07192 4.11367 6.48757 numMergedOcc 0
32 mol 248 unq 1 iso 0 dist 9.5107 10.5215 8.71859 6.97887 7.21521 6.33032 7.39322 6.07192 4.11367 5.51827 numMergedOcc 0
33 mol 248 unq 2 iso 0 dist 9.5107 10.5215 8.71859 5.78576 8.2965 11.762 7.39322 6.07192 4.11367 9.29921 numMergedOcc 0
34 mol 253 unq 0 iso 0 dist 9.86979 11.834 7.7993 7.79167 9.02271 13.0587 10.094 7.19465 14.5897 7.92528 numMergedOcc 0
35 mol 253 unq 1 iso 0 dist 9.86979 6.26583 6.10761 7.79167 9.02271 4.70422 10.094 7.19465 8.77813 7.92528 numMergedOcc 0
36 mol 259 unq 0 iso 0 dist 6.20344 4.98212 9.58006 5.56656 7.88519 5.71237 12.9748 7.48005 15.1483 11.6195 numMergedOcc 0
37 mol 259 unq 1 iso 0 dist 6.20344 4.98212 9.58006 6.08432 7.84554 9.10984 12.9748 7.48005 15.1483 11.8736 numMergedOcc 0
38 mol 259 unq 2 iso 0 dist 6.20344 4.98212 9.58006 10.3156 7.46176 11.8501 12.9748 7.48005 15.1483 5.79468 numMergedOcc 0
39 mol 259 unq 3 iso 0 dist 6.20344 4.98212 9.58006 9.55719 9.18903 13.9868 12.9748 7.48005 15.1483 12.6649 numMergedOcc 0
40 mol 277 unq 0 iso 0 dist 9.64889 6.7593 6.90434 15.4648 9.7748 13.2927 10.971 9.41725 9.14131 6.58374 numMergedOcc 0
