0 mol 7 unq 0 iso 0 dist 7.10621 7.31201 10.789 13.8829 8.72114 13.6379 9.36807 10.515 6.57017 9.97624 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 8.38064 8.21493 5.90976 4.39605 7.48342 10.0974 10.2062 6.29685 11.5727 6.50647 numMergedOcc 0
2 mol 15 unq 1 iso 0 dist 9.97507 7.12903 5.90976 12.1303 7.48342 10.0974 15.3099 6.29685 11.5727 6.50647 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 4.54938 8.78293 10.9543 4.97119 6.41575 13.1234 7.82528 5.14627 14.7664 5.82366 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 4.54938 8.23643 6.55187 4.97119 6.41575 11.3136 7.82528 5.14627 11.0033 5.82366 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 7.82074 8.73972 6.55187 6.01808 6.41575 11.3136 10.2708 5.14627 11.0033 5.82366 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 6.864 8.78293 11.4401 4.97119 6.41423 13.1234 7.82528 4.69858 14.7664 5.82366 numMergedOcc 0
7 mol 19 unq 4 iso 0 dist 6.864 8.23643 12.3093 4.97119 6.41423 11.3136 7.82528 4.69858 11.0033 5.82366 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 6.03987 7.685 10.3635 5.68392 6.85556 9.71382 10.7177 5.09159 12.7145 9.62401 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 6.86465 8.63333 6.47744 10.2049 8.80614 9.11258 17.4911 13.9007 13.9773 7.6481 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 6.62496 9.64665 4.67832 9.95364 8.80614 10.4309 16.3613 13.9007 12.904 7.6481 numMergedOcc 0
11 mol 58 unq 2 iso 0 dist 6.62496 9.64665 4.67832 9.95364 8.80614 10.4309 11.5023 6.47744 9.45755 9.11258 numMergedOcc 0
12 mol 58 unq 3 iso 0 dist 6.35756 8.89374 6.47744 5.49591 8.80614 9.11258 12.7237 13.9007 13.9773 7.6481 numMergedOcc 0
13 mol 58 unq 4 iso 0 dist 9.55426 9.73139 13.1021 5.74871 7.21955 14.2645 6.31428 6.75888 6.44201 8.71468 numMergedOcc 0
14 mol 61 unq 0 iso 0 dist 6.65721 8.76003 5.83489 13.5488 9.25641 14.7343 11.7721 5.94559 9.82609 7.46994 numMergedOcc 0
15 mol 85 unq 0 iso 0 dist 7.97049 9.47876 7.98917 9.29301 9.82915 10.0297 13.9302 15.8792 14.9233 6.05495 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 7.47541 7.22293 7.98917 13.5116 9.82915 10.0297 18.8901 15.8792 14.9233 6.05495 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 7.4729 5.81965 6.99832 9.50382 6.95572 5.39745 10.6071 9.32974 5.06359 6.72712 numMergedOcc 0
18 mol 92 unq 1 iso 0 dist 6.82344 9.70512 6.99832 7.56363 6.95572 5.39745 13.3102 9.32974 5.06359 6.72712 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 7.11802 7.92688 4.68409 16.0138 9.22232 12.3267 16.3407 12.0863 16.6155 8.21165 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 6.54501 8.6355 10.1448 5.71679 7.69991 8.73604 10.9685 6.69989 9.57049 8.55616 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 8.94367 8.79571 5.41704 4.57832 6.23142 8.73604 11.2292 5.3585 9.57049 8.55616 numMergedOcc 0
22 mol 134 unq 2 iso 0 dist 6.37586 5.42582 5.41704 5.29786 6.23142 8.73604 10.9613 5.3585 9.57049 8.55616 numMergedOcc 0
23 mol 134 unq 3 iso 0 dist 6.49416 8.6355 5.41704 5.71679 6.23142 8.73604 10.9685 5.3585 9.57049 8.55616 numMergedOcc 0
24 mol 134 unq 4 iso 0 dist 9.86662 8.79571 6.17103 4.57832 9.94764 8.73604 11.2292 6.74887 9.57049 8.55616 numMergedOcc 0
25 mol 134 unq 5 iso 0 dist 9.71307 5.42582 6.17103 5.29786 9.94764 8.73604 10.9613 6.74887 9.57049 8.55616 numMergedOcc 0
26 mol 155 unq 0 iso 0 dist 6.43582 9.14392 12.1814 5.50031 7.92304 13.3276 7.51198 6.34186 7.63368 9.80845 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 9.1374 6.94688 6.25083 6.6251 6.2479 9.06217 6.71012 4.77278 5.3528 7.13252 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 9.1374 6.71012 4.77278 6.6251 6.2479 7.13252 6.94688 6.25083 5.3528 9.06217 numMergedOcc 0
29 mol 181 unq 2 iso 0 dist 5.98885 6.94688 5.86342 6.6251 7.99195 9.06217 6.71012 9.14057 5.3528 7.13252 numMergedOcc 0
30 mol 181 unq 3 iso 0 dist 5.98885 6.71012 9.14057 6.6251 7.99195 7.13252 6.94688 5.86342 5.3528 9.06217 numMergedOcc 0
31 mol 181 unq 4 iso 0 dist 5.98885 7.20046 5.4601 9.81073 8.90963 13.6646 10.8351 8.25067 13.6811 5.95304 numMergedOcc 0
32 mol 181 unq 5 iso 0 dist 5.98885 7.13543 10.0524 9.81073 8.90963 15.9219 10.8351 8.25067 17.3245 5.95304 numMergedOcc 0
33 mol 181 unq 6 iso 0 dist 7.63312 6.93764 4.80231 12.5387 5.94469 10.6207 10.1232 6.7991 9.99424 7.05653 numMergedOcc 0
34 mol 181 unq 7 iso 0 dist 7.63312 7.98142 9.60512 5.63555 5.9176 5.97685 7.37327 13.3389 6.46849 8.9289 numMergedOcc 0
35 mol 181 unq 8 iso 0 dist 7.63312 7.37327 13.3389 5.63555 5.9176 8.9289 7.98142 9.60512 6.46849 5.97685 numMergedOcc 0
36 mol 227 unq 0 iso 0 dist 8.65997 9.62609 14.6185 9.72615 5.41321 14.0608 6.95902 6.43754 8.55671 7.57454 numMergedOcc 0
37 mol 227 unq 1 iso 0 dist 7.55216 8.83563 11.662 6.48027 5.41321 13.792 12.8864 6.43754 18.0561 7.57454 numMergedOcc 0
38 mol 264 unq 0 iso 0 dist 6.24356 9.0012 5.12409 7.52936 5.93616 5.91213 9.5784 9.67998 6.20393 7.34094 numMergedOcc 0
39 mol 264 unq 1 iso 0 dist 6.24356 9.5784 9.67998 7.52936 5.93616 7.34094 9.0012 5.12409 6.20393 5.91213 numMergedOcc 0
