0 mol 56 unq 0 iso 0 dist 9.01516 11.9402 6.91393 13.6231 5.07125 8.12964 numMergedOcc 0
1 mol 56 unq 1 iso 0 dist 9.01516 11.5883 8.40038 13.6231 5.07125 11.6453 numMergedOcc 0
2 mol 56 unq 2 iso 0 dist 7.31255 5.06308 6.91393 8.33154 5.07125 8.12964 numMergedOcc 0
3 mol 56 unq 3 iso 0 dist 7.31255 4.89692 8.40038 8.33154 5.07125 11.6453 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.0534 9.58688 8.58543 11.5328 7.69861 5.24993 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 5.89661 6.10639 5.51624 10.5249 7.8435 4.97727 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 5.89661 6.10639 5.51624 10.3971 5.99269 5.77343 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 5.89661 6.10639 5.51624 8.75661 5.71763 11.0802 numMergedOcc 0
8 mol 93 unq 3 iso 0 dist 5.89661 12.8537 7.8674 10.5249 7.8435 13.8087 numMergedOcc 0
9 mol 93 unq 4 iso 0 dist 5.89661 12.8537 7.8674 10.3971 5.99269 9.96831 numMergedOcc 0
10 mol 93 unq 5 iso 0 dist 5.89661 12.8537 7.8674 8.75661 5.71763 5.33894 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 7.20629 8.9683 8.03035 9.24957 9.6121 6.71103 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 7.20629 8.9683 8.03035 12.6962 9.57341 6.29394 numMergedOcc 0
13 mol 119 unq 2 iso 0 dist 7.20629 5.50673 7.6968 9.24957 9.6121 12.4868 numMergedOcc 0
14 mol 119 unq 3 iso 0 dist 7.20629 5.50673 7.6968 12.6962 9.57341 9.64502 numMergedOcc 0
15 mol 147 unq 0 iso 0 dist 9.95533 13.1959 9.23528 15.6865 9.43989 17.3765 numMergedOcc 0
16 mol 147 unq 1 iso 0 dist 7.94147 16.9873 9.23528 8.57724 9.43989 17.3765 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 7.27943 8.26715 8.60521 8.3084 6.09987 5.55763 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 9.7578 14.3134 9.75627 14.7654 8.999 6.1593 numMergedOcc 0
19 mol 171 unq 1 iso 0 dist 6.27462 12.4068 7.82546 14.6076 9.13027 8.8243 numMergedOcc 0
20 mol 171 unq 2 iso 0 dist 9.85967 8.98068 9.75627 13.1165 8.999 6.1593 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 5.31166 7.56736 7.55358 6.3473 8.57801 13.0608 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 5.31166 9.89307 7.60991 6.3473 8.57801 11.868 numMergedOcc 0
23 mol 193 unq 0 iso 0 dist 7.46207 11.6364 5.44396 14.5951 7.39445 3.9625 numMergedOcc 0
24 mol 193 unq 1 iso 0 dist 7.46207 8.4769 6.22972 14.5951 7.39445 9.42379 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 9.62121 11.8352 9.89583 14.0336 6.53286 13.0611 numMergedOcc 0
26 mol 250 unq 0 iso 0 dist 9.84682 7.23699 9.60364 4.59201 7.22664 8.9822 numMergedOcc 0
27 mol 250 unq 1 iso 0 dist 9.84682 7.23699 9.60364 10.7903 7.15762 11.5018 numMergedOcc 0
28 mol 250 unq 2 iso 0 dist 8.26719 11.6387 9.60364 12.7172 7.22664 8.9822 numMergedOcc 0
29 mol 250 unq 3 iso 0 dist 8.26719 11.6387 9.60364 8.25498 7.15762 11.5018 numMergedOcc 0
30 mol 264 unq 0 iso 0 dist 9.54836 10.1582 5.74568 8.52745 6.02757 5.82131 numMergedOcc 0
31 mol 264 unq 1 iso 0 dist 9.54836 10.1582 5.74568 4.96942 8.67231 9.58444 numMergedOcc 0
