0 mol 0 unq 0 iso 0 dist 9.23213 10.3034 6.3267 5.24778 8.34244 6.0597 15.944 8.8123 8.31596 13.1109 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 8.47421 11.4878 7.2199 9.5997 9.57198 6.0397 12.6047 6.27573 6.9513 12.164 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 8.47421 11.4878 7.2199 9.5997 9.57198 6.0397 14.9473 11.1737 9.16116 14.1469 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 8.47421 11.4878 7.2199 9.5997 9.57198 6.0397 16.8226 10.9842 8.47109 10.1029 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 6.99408 7.39653 8.13782 8.26635 7.21995 9.85038 15.6951 14.5783 8.59109 17.349 numMergedOcc 0
5 mol 45 unq 1 iso 0 dist 6.99408 7.39653 8.13782 13.4503 9.62637 13.1805 15.6951 14.5783 8.59109 18.7224 numMergedOcc 0
6 mol 45 unq 2 iso 0 dist 9.3403 10.6095 8.13782 5.05051 7.21995 9.85038 19.075 14.5783 8.59109 17.349 numMergedOcc 0
7 mol 45 unq 3 iso 0 dist 9.3403 10.6095 8.13782 10.6148 9.62637 13.1805 19.075 14.5783 8.59109 18.7224 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 6.40841 5.64209 6.50297 7.12541 8.71468 11.3634 10.9482 6.44201 6.96494 14.2645 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 8.63333 10.6476 6.96494 10.2049 9.11258 13.4366 14.2147 6.44201 6.50297 12.7653 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 8.89374 12.7331 6.96494 5.49591 9.11258 13.4366 14.3086 6.44201 6.50297 12.7653 numMergedOcc 0
11 mol 58 unq 3 iso 0 dist 6.46761 8.74789 6.96494 5.85698 9.11258 13.4366 7.58407 6.44201 6.50297 12.7653 numMergedOcc 0
12 mol 58 unq 4 iso 0 dist 7.58407 8.74789 6.50297 11.387 8.71468 11.3634 6.46761 6.44201 6.96494 14.2645 numMergedOcc 0
13 mol 58 unq 5 iso 0 dist 9.73139 7.02095 6.96494 12.2123 9.11258 13.4366 6.31428 6.44201 6.50297 12.7653 numMergedOcc 0
14 mol 58 unq 6 iso 0 dist 6.31428 7.02095 6.50297 5.74871 8.71468 11.3634 9.73139 6.44201 6.96494 14.2645 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 6.73814 12.1324 9.86739 13.7032 9.83981 9.47219 17.4431 12.0339 9.49413 6.51395 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 7.64585 10.7942 6.40036 6.40494 7.52142 9.65908 12.0409 9.37623 7.99631 14.8114 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 6.93652 7.57216 6.2135 7.42649 5.26989 8.7258 15.487 10.8776 8.55681 14.6318 numMergedOcc 0
18 mol 141 unq 1 iso 0 dist 6.93652 7.57216 6.2135 10.6531 7.76442 6.67552 15.487 10.8776 8.55681 11.0413 numMergedOcc 0
19 mol 141 unq 2 iso 0 dist 9.54444 6.96143 6.2135 8.39549 5.26989 8.7258 15.384 10.8776 8.55681 14.6318 numMergedOcc 0
20 mol 141 unq 3 iso 0 dist 9.54444 6.96143 6.2135 8.43221 7.76442 6.67552 15.384 10.8776 8.55681 11.0413 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 6.94688 8.25067 8.20656 6.6251 9.06217 14.048 6.71012 5.3528 9.40622 7.13252 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 6.71012 8.25067 9.40622 6.6251 7.13252 14.048 6.94688 5.3528 8.20656 9.06217 numMergedOcc 0
23 mol 225 unq 0 iso 0 dist 5.50387 10.7506 8.75834 8.32583 9.47117 17.6349 17.6316 14.0478 7.51827 23.4039 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 8.17891 13.3557 7.95168 10.9607 7.57454 9.75331 13.4493 8.55671 6.152 14.0608 numMergedOcc 0
25 mol 227 unq 1 iso 0 dist 6.95902 8.8709 7.95168 9.72615 7.57454 9.75331 9.62609 8.55671 6.152 14.0608 numMergedOcc 0
26 mol 234 unq 0 iso 0 dist 9.5707 12.1076 9.6101 10.0059 7.43663 4.51304 10.475 9.35875 5.32183 7.94068 numMergedOcc 0
27 mol 234 unq 1 iso 0 dist 9.39181 6.29366 5.32183 5.08515 7.94068 4.51304 11.8897 9.35875 9.6101 7.43663 numMergedOcc 0
28 mol 234 unq 2 iso 0 dist 9.39181 6.29366 5.32183 12.6661 7.22019 6.56416 11.8897 9.35875 9.6101 9.28101 numMergedOcc 0
29 mol 270 unq 0 iso 0 dist 8.25349 10.1677 9.16073 5.43023 7.89388 6.0625 12.8426 6.73396 6.79822 10.1309 numMergedOcc 0
30 mol 270 unq 1 iso 0 dist 8.25349 10.4895 8.39167 5.43023 7.89388 5.91256 12.8426 6.73396 9.17227 10.1309 numMergedOcc 0
