0 mol 7 unq 0 iso 0 dist 9.20552 9.81211 5.51421 5.26458 5.99972 4.60206 8.16305 7.78327 3.52338 3.54153 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 6.49709 7.4835 5.95165 10.4181 5.96346 4.46394 4.4067 8.68293 10.5071 13.5125 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 6.49709 7.4835 5.95165 10.4181 5.96346 4.46394 13.2938 6.84216 9.80646 6.76736 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.06275 6.41579 8.38387 5.33298 8.95682 7.13085 7.62357 9.02471 4.15592 10.4863 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.90024 14.9559 8.38387 13.2914 8.95682 7.13085 16.9091 9.02471 4.15592 10.4863 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 9.96446 5.27016 8.4545 15.5614 8.18107 12.49 12.0126 5.42067 8.46944 4.30488 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 9.96446 5.27016 8.4545 8.51558 5.9465 4.1125 12.0126 5.42067 8.46944 5.09449 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 6.70686 5.27016 7.01176 15.5614 9.8859 12.49 12.0126 7.36435 8.46944 4.30488 numMergedOcc 0
8 mol 92 unq 3 iso 0 dist 6.70686 5.27016 7.01176 8.51558 6.97962 4.1125 12.0126 7.36435 8.46944 5.09449 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 9.83528 13.0144 5.9747 15.5475 6.65501 7.43001 11.4714 7.92856 4.48773 11.6496 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 9.83528 10.11 4.50572 15.5475 6.65501 9.5305 11.4714 7.92856 3.8493 11.6496 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 7.54969 12.9828 5.9747 13.2316 6.65501 7.43001 12.9689 7.92856 4.48773 11.6496 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 7.54969 9.82501 4.50572 13.2316 6.65501 9.5305 12.9689 7.92856 3.8493 11.6496 numMergedOcc 0
13 mol 122 unq 0 iso 0 dist 8.47907 5.08302 9.40018 6.9595 9.23819 4.81033 12.1473 4.42563 12.9961 11.3935 numMergedOcc 0
14 mol 122 unq 1 iso 0 dist 8.47907 5.08302 9.40018 10.577 8.88537 9.33734 12.1473 4.42563 12.9961 8.90201 numMergedOcc 0
15 mol 122 unq 2 iso 0 dist 8.47907 11.2519 6.78949 6.9595 9.23819 6.93382 12.1473 4.42563 6.80573 11.3935 numMergedOcc 0
16 mol 122 unq 3 iso 0 dist 8.47907 11.2519 6.78949 10.577 8.88537 4.21285 12.1473 4.42563 6.80573 8.90201 numMergedOcc 0
17 mol 163 unq 0 iso 0 dist 7.75045 4.49316 9.63873 3.98078 9.07943 6.09134 11.5774 9.90947 14.9742 9.82832 numMergedOcc 0
18 mol 163 unq 1 iso 0 dist 7.75045 4.49316 9.63873 3.98078 9.07943 6.09134 10.9436 8.16252 13.5948 9.10855 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 6.09874 14.0799 9.58911 5.06341 6.22122 12.0718 14.1844 9.70481 3.55808 13.4378 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 7.39185 5.39526 7.63036 6.35777 7.36683 7.14066 4.22848 6.59544 8.15115 9.10355 numMergedOcc 0
21 mol 195 unq 1 iso 0 dist 7.39185 5.39526 7.63036 8.75868 6.95086 4.58275 4.22848 6.59544 8.15115 9.70528 numMergedOcc 0
22 mol 195 unq 2 iso 0 dist 4.78641 8.94388 7.63036 6.31156 7.36683 7.14066 4.65343 6.59544 8.15115 9.10355 numMergedOcc 0
23 mol 195 unq 3 iso 0 dist 4.78641 8.94388 7.63036 10.4127 6.95086 4.58275 4.65343 6.59544 8.15115 9.70528 numMergedOcc 0
24 mol 235 unq 0 iso 0 dist 7.8128 12.3178 9.11256 12.5723 9.55668 3.93066 9.83176 8.08965 3.76405 6.82702 numMergedOcc 0
25 mol 235 unq 1 iso 0 dist 7.8128 4.27313 7.08539 12.5723 9.55668 13.0408 9.83176 8.08965 12.0808 6.82702 numMergedOcc 0
26 mol 237 unq 0 iso 0 dist 9.59483 13.1097 8.56463 14.3756 6.99315 5.32535 18.1875 9.14911 8.84619 5.74428 numMergedOcc 0
27 mol 237 unq 1 iso 0 dist 9.59483 18.3553 9.42743 14.3756 6.99315 11.5107 18.1875 9.14911 9.06943 5.74428 numMergedOcc 0
28 mol 237 unq 2 iso 0 dist 8.42717 11.2515 8.56463 8.63433 6.99315 5.32535 4.38713 9.14911 8.84619 5.74428 numMergedOcc 0
29 mol 237 unq 3 iso 0 dist 8.42717 6.24855 9.42743 8.63433 6.99315 11.5107 4.38713 9.14911 9.06943 5.74428 numMergedOcc 0
30 mol 239 unq 0 iso 0 dist 8.82778 12.0443 6.44212 15.4125 8.84636 8.28901 10.7268 4.43499 3.71488 5.76503 numMergedOcc 0
