0 mol 0 unq 0 iso 0 dist 9.19007 6.91778 14.0232 7.02374 7.92928 13.4647 6.0225 6.94943 12.8524 4.22598 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 5.72491 8.72114 10.1959 10.789 9.55056 13.6379 7.12508 8.15894 11.2901 4.40641 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 5.72491 8.72114 10.1959 10.515 7.45262 9.97624 7.12508 8.15894 11.2901 7.92429 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 7.88043 5.99972 7.25346 12.2708 9.55056 15.5696 12.8323 8.15894 14.8356 4.40641 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 7.88043 5.99972 7.25346 6.06176 7.45262 10.6471 12.8323 8.15894 14.8356 7.92429 numMergedOcc 0
5 mol 7 unq 4 iso 0 dist 8.80762 5.99972 10.0658 12.2708 7.57354 15.5696 12.8323 8.45544 14.8356 4.40641 numMergedOcc 0
6 mol 7 unq 5 iso 0 dist 8.80762 5.99972 10.0658 6.06176 6.96586 10.6471 12.8323 8.45544 14.8356 7.92429 numMergedOcc 0
7 mol 9 unq 0 iso 0 dist 9.78006 9.62394 7.28672 5.60154 8.04924 9.57198 5.84314 7.05919 10.9352 3.91075 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 8.6385 7.36856 5.30297 4.74747 7.61055 7.3022 7.73394 6.73167 6.07276 10.267 numMergedOcc 0
9 mol 26 unq 1 iso 0 dist 8.6385 7.36856 5.30297 4.74747 7.61055 7.3022 7.42064 7.40948 10.6018 6.77624 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 7.00551 9.39683 10.9721 12.6005 6.78801 12.7349 8.34485 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 9.29384 9.25558 11.2516 7.00551 9.39683 14.9787 12.6005 6.78801 17.5196 8.34485 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 7.25673 7.78652 6.60479 6.01455 7.88655 6.46089 4.78563 8.612 5.06564 4.38322 numMergedOcc 0
13 mol 143 unq 1 iso 0 dist 7.25673 8.91301 7.54337 6.01455 7.88655 10.1154 4.78563 8.612 7.5373 4.38322 numMergedOcc 0
14 mol 159 unq 0 iso 0 dist 7.25742 9.17787 10.3427 4.57561 7.13269 10.4588 4.48323 6.07821 12.5346 4.27525 numMergedOcc 0
15 mol 159 unq 1 iso 0 dist 7.25742 8.4858 7.97232 4.57561 7.13269 5.9032 4.48323 6.07821 9.35202 4.27525 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 8.08908 5.73148 10.4506 11.8244 9.13027 9.19622 11.9654 numMergedOcc 0
17 mol 171 unq 1 iso 0 dist 7.71426 8.1344 5.90358 8.08908 5.73148 10.7861 11.8244 9.13027 11.6352 11.9654 numMergedOcc 0
18 mol 171 unq 2 iso 0 dist 5.10618 8.24693 6.29877 6.05805 5.73148 10.4506 13.9189 9.13027 9.19622 11.9654 numMergedOcc 0
19 mol 171 unq 3 iso 0 dist 5.10618 6.71356 5.90358 6.05805 5.73148 10.7861 13.9189 9.13027 11.6352 11.9654 numMergedOcc 0
20 mol 188 unq 0 iso 0 dist 8.57261 7.14503 5.0782 12.0548 7.48284 11.4648 9.71636 7.79115 8.66624 6.39872 numMergedOcc 0
21 mol 188 unq 1 iso 0 dist 8.57261 8.10214 5.87427 12.0548 7.48284 9.33696 9.71636 7.79115 11.506 6.39872 numMergedOcc 0
22 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 15.9311 9.77862 11.6497 10.0756 5.53324 4.19371 8.31541 numMergedOcc 0
23 mol 194 unq 1 iso 0 dist 6.26839 8.65535 5.92931 15.9311 9.77862 11.6497 11.8031 6.72182 11.7017 6.72001 numMergedOcc 0
24 mol 194 unq 2 iso 0 dist 8.83356 8.29382 12.361 5.38925 9.77862 13.132 10.463 5.53324 15.7666 8.31541 numMergedOcc 0
25 mol 194 unq 3 iso 0 dist 8.83356 8.29382 12.361 5.38925 9.77862 13.132 4.66791 6.72182 11.2491 6.72001 numMergedOcc 0
26 mol 194 unq 4 iso 0 dist 8.83356 6.72379 7.50057 5.38925 9.77862 9.3402 10.463 5.53324 9.64441 8.31541 numMergedOcc 0
27 mol 194 unq 5 iso 0 dist 8.83356 6.72379 7.50057 5.38925 9.77862 9.3402 4.66791 6.72182 9.00322 6.72001 numMergedOcc 0
28 mol 195 unq 0 iso 0 dist 6.60567 7.36683 6.0634 13.6975 9.79691 14.0228 5.41635 6.34234 6.22742 10.5776 numMergedOcc 0
29 mol 195 unq 1 iso 0 dist 6.60567 7.36683 6.0634 13.6975 9.79691 14.0228 11.9954 7.87972 13.3723 4.18074 numMergedOcc 0
30 mol 195 unq 2 iso 0 dist 6.60567 6.95086 6.74112 13.6975 9.79691 15.1755 5.41635 6.34234 10.8593 10.5776 numMergedOcc 0
31 mol 195 unq 3 iso 0 dist 6.60567 6.95086 6.74112 13.6975 9.79691 15.1755 11.9954 7.87972 11.9372 4.18074 numMergedOcc 0
32 mol 195 unq 4 iso 0 dist 7.62942 9.26504 6.0634 6.08211 9.79691 14.0228 6.04871 6.34234 6.22742 10.5776 numMergedOcc 0
33 mol 195 unq 5 iso 0 dist 7.62942 9.26504 6.0634 6.08211 9.79691 14.0228 8.04534 7.87972 13.3723 4.18074 numMergedOcc 0
34 mol 198 unq 0 iso 0 dist 8.10985 6.34616 9.86517 12.2117 8.15936 16.7877 9.76488 8.8864 15.3535 4.12366 numMergedOcc 0
35 mol 198 unq 1 iso 0 dist 8.10985 6.34616 9.86517 12.2117 8.15936 16.7877 6.0599 8.12201 11.5067 8.27289 numMergedOcc 0
36 mol 198 unq 2 iso 0 dist 8.10985 6.34616 9.86517 12.2117 8.15936 16.7877 6.05382 5.45162 10.7287 7.09645 numMergedOcc 0
37 mol 198 unq 3 iso 0 dist 8.10985 6.34616 9.86517 10.8191 8.16598 15.2254 9.76488 8.8864 15.3535 5.7714 numMergedOcc 0
38 mol 198 unq 4 iso 0 dist 8.10985 6.34616 9.86517 10.8191 8.16598 15.2254 6.0599 8.12201 11.5067 5.50315 numMergedOcc 0
39 mol 198 unq 5 iso 0 dist 8.10985 6.34616 9.86517 10.8191 8.16598 15.2254 6.05382 5.45162 10.7287 8.18633 numMergedOcc 0
40 mol 227 unq 0 iso 0 dist 8.03442 7.43071 12.8075 6.43754 7.1372 12.2922 5.0317 9.43618 9.18728 4.09934 numMergedOcc 0
41 mol 227 unq 1 iso 0 dist 8.03442 5.41321 4.59123 6.43754 7.1372 7.57454 5.0317 9.43618 8.91971 4.09934 numMergedOcc 0
42 mol 238 unq 0 iso 0 dist 5.52379 7.10685 5.83386 11.6239 7.61203 13.0987 4.48415 6.53286 10.6116 9.75095 numMergedOcc 0
43 mol 238 unq 1 iso 0 dist 5.52379 7.10685 5.83386 13.9614 9.47845 14.4678 4.48415 6.53286 10.6116 11.7938 numMergedOcc 0
44 mol 238 unq 2 iso 0 dist 5.52379 7.10685 5.83386 12.3042 6.92409 10.6749 4.48415 6.53286 10.6116 11.7709 numMergedOcc 0
45 mol 238 unq 3 iso 0 dist 5.52379 7.10685 5.83386 5.54325 6.89694 10.1326 4.48415 6.53286 10.6116 6.12722 numMergedOcc 0
46 mol 279 unq 0 iso 0 dist 6.43341 9.09855 5.89415 7.18967 8.23056 12.8413 9.40912 5.8304 11.458 6.25207 numMergedOcc 0
47 mol 279 unq 1 iso 0 dist 6.43341 9.09855 5.89415 7.18967 8.23056 12.8413 4.14939 7.37478 8.98854 10.8722 numMergedOcc 0
