0 mol 0 unq 0 iso 0 dist 7.79297 16.4903 9.19007 4.16512 6.91778 14.0232 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.79297 13.9134 9.56794 4.16512 6.91778 10.1804 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 9.20552 6.49868 7.88043 5.26458 5.99972 7.25346 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 9.20552 8.07954 8.80762 5.26458 5.99972 10.0658 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.94828 10.812 6.90155 6.84017 6.16347 11.0508 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 8.94828 10.812 6.90155 15.5398 7.92503 6.61233 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 8.90473 10.0227 8.6385 6.09666 7.36856 5.30297 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 9.83528 5.90298 7.26086 15.5475 6.65501 11.2092 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 7.54969 8.8736 7.26086 13.2316 6.65501 11.2092 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 9.26438 12.3653 5.34214 5.26309 7.80523 10.8469 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 6.43255 5.55157 5.34214 11.4333 7.80523 10.8469 numMergedOcc 0
11 mol 109 unq 2 iso 0 dist 7.4389 3.56506 5.34214 14.0908 7.80523 10.8469 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 6.71345 6.51881 6.34525 8.84017 6.84011 8.51024 numMergedOcc 0
13 mol 124 unq 0 iso 0 dist 6.71293 7.72177 8.58188 5.76663 6.96281 5.97523 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 4.9155 7.07077 5.53031 6.64576 7.80532 8.98004 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 8.49987 5.92316 5.53031 5.54455 7.80532 8.98004 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 9.42271 10.7289 5.53031 5.87436 7.80532 8.98004 numMergedOcc 0
17 mol 163 unq 0 iso 0 dist 7.75045 7.79531 8.38738 3.98078 9.07943 8.55624 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 8.77347 6.2749 7.20574 10.0244 8.73217 11.8992 numMergedOcc 0
19 mol 188 unq 0 iso 0 dist 7.24099 6.77718 8.57261 6.5476 7.14503 5.0782 numMergedOcc 0
20 mol 188 unq 1 iso 0 dist 7.24099 6.77718 8.57261 5.54913 8.10214 5.87427 numMergedOcc 0
21 mol 195 unq 0 iso 0 dist 7.39185 9.67099 6.60567 6.35777 7.36683 6.0634 numMergedOcc 0
22 mol 195 unq 1 iso 0 dist 7.39185 9.67099 6.60567 8.75868 6.95086 6.74112 numMergedOcc 0
23 mol 195 unq 2 iso 0 dist 4.78641 9.33058 6.60567 6.31156 7.36683 6.0634 numMergedOcc 0
24 mol 195 unq 3 iso 0 dist 4.78641 9.33058 6.60567 10.4127 6.95086 6.74112 numMergedOcc 0
25 mol 210 unq 0 iso 0 dist 8.58471 5.35708 5.37446 5.06328 7.10826 7.1777 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 7.57253 14.1473 7.83711 5.70548 9.05071 13.8622 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 5.60236 6.49782 6.39158 5.86896 6.36341 7.85398 numMergedOcc 0
28 mol 235 unq 1 iso 0 dist 9.03917 12.526 6.39158 4.88651 6.36341 7.85398 numMergedOcc 0
29 mol 240 unq 0 iso 0 dist 7.6664 14.1051 9.47583 5.1741 6.68687 15.5587 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 9.13226 12.9095 9.56685 8.85159 9.85289 5.36428 numMergedOcc 0
31 mol 274 unq 1 iso 0 dist 9.13226 16.3353 8.49922 8.85159 9.85289 11.9754 numMergedOcc 0
