0 mol 7 unq 0 iso 0 dist 8.75465 9.69313 8.15894 12.8676 7.12508 5.72491 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.75465 9.69313 8.15894 13.0935 12.8323 7.88043 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.75465 5.28778 8.45544 13.0935 12.8323 8.80762 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.6834 11.8013 8.24948 9.79529 5.11636 6.72502 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.74209 11.8036 7.15901 12.0618 4.96926 8.44903 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 9.85555 9.77201 7.15901 14.4841 4.96926 8.44903 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 7.07124 8.45716 5.07125 5.84326 6.15355 8.63486 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 7.49235 7.46124 7.8435 17.0174 16.1023 9.81831 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 7.49235 7.46124 7.8435 16.0997 12.4934 9.12858 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 7.49235 7.46124 7.8435 14.0321 10.8106 9.4523 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 7.19431 7.46124 5.99269 17.0174 13.1721 9.81831 numMergedOcc 0
11 mol 93 unq 4 iso 0 dist 7.19431 7.46124 5.99269 16.0997 11.0537 9.12858 numMergedOcc 0
12 mol 93 unq 5 iso 0 dist 7.19431 7.46124 5.99269 14.0321 7.14217 9.4523 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 6.37954 10.7165 8.75597 9.32725 3.9764 7.26086 numMergedOcc 0
14 mol 130 unq 0 iso 0 dist 9.47287 11.7562 6.5739 14.3383 7.21225 8.33077 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 8.7231 5.8592 6.78801 12.8277 4.57579 9.15431 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 8.7231 5.8592 6.78801 12.2125 8.57203 6.92648 numMergedOcc 0
17 mol 131 unq 2 iso 0 dist 8.7231 5.8592 6.78801 12.6224 12.6005 9.29384 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 7.76446 9.75179 6.99345 9.14415 10.092 7.36779 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 7.76446 9.75179 6.99345 9.79337 12.8086 8.20836 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 6.14652 9.75179 5.11043 9.14415 4.46337 7.36779 numMergedOcc 0
21 mol 134 unq 3 iso 0 dist 6.14652 9.75179 5.11043 9.79337 7.41373 8.20836 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 5.05627 4.86119 6.77921 10.9387 13.2918 6.69515 numMergedOcc 0
23 mol 141 unq 1 iso 0 dist 5.05627 4.86119 6.77921 12.3743 13.4066 7.86572 numMergedOcc 0
24 mol 143 unq 0 iso 0 dist 9.11314 11.3023 8.612 12.9413 4.78563 7.25673 numMergedOcc 0
25 mol 152 unq 0 iso 0 dist 9.4275 12.369 7.1069 12.6531 4.94983 8.35555 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 8.95209 8.49599 6.07389 13.6375 15.0914 9.83476 numMergedOcc 0
27 mol 188 unq 0 iso 0 dist 8.01604 9.09717 7.79115 10.4357 9.71636 8.57261 numMergedOcc 0
28 mol 188 unq 1 iso 0 dist 7.03264 10.3393 7.79115 14.3411 9.71636 8.57261 numMergedOcc 0
29 mol 195 unq 0 iso 0 dist 6.27266 9.33058 6.34234 4.78641 5.41635 6.60567 numMergedOcc 0
30 mol 195 unq 1 iso 0 dist 6.27266 9.33058 6.34234 12.0897 6.04871 7.62942 numMergedOcc 0
31 mol 210 unq 0 iso 0 dist 9.94292 5.35986 9.14831 11.3254 11.3763 7.63018 numMergedOcc 0
32 mol 252 unq 0 iso 0 dist 7.95045 11.5778 9.39658 11.4111 5.6214 6.11473 numMergedOcc 0
33 mol 252 unq 1 iso 0 dist 7.95045 5.63924 5.9974 11.4111 5.6214 6.53679 numMergedOcc 0
34 mol 252 unq 2 iso 0 dist 7.95045 5.63924 5.9974 11.4163 7.40852 7.50201 numMergedOcc 0
