0 mol 0 unq 0 iso 0 dist 9.23213 8.81979 9.14029 10.3034 6.3267 14.4712 5.24778 8.34244 12.5479 6.0597 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 7.45237 7.33969 4.85203 6.42104 8.43814 11.4675 7.401 6.47855 6.24515 10.3659 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 7.45237 7.33969 4.85203 6.42248 8.16689 10.0778 7.401 6.47855 6.24515 5.7332 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 6.46761 7.58407 6.44201 8.74789 6.96494 6.50297 5.85698 9.11258 12.7653 13.4366 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 6.46761 7.58407 6.44201 6.61756 7.01363 10.2688 5.85698 9.11258 12.7653 8.88332 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 7.58407 6.46761 6.44201 14.7581 8.80108 12.8396 11.387 8.71468 14.2645 10.8421 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 7.58407 6.46761 6.44201 8.74789 6.50297 6.96494 11.387 8.71468 14.2645 11.3634 numMergedOcc 0
7 mol 58 unq 4 iso 0 dist 9.73139 6.31428 6.44201 7.02095 6.96494 6.50297 12.2123 9.11258 12.7653 13.4366 numMergedOcc 0
8 mol 58 unq 5 iso 0 dist 9.73139 6.31428 6.44201 8.94672 7.01363 10.2688 12.2123 9.11258 12.7653 8.88332 numMergedOcc 0
9 mol 58 unq 6 iso 0 dist 6.31428 9.73139 6.44201 10.3782 8.80108 12.8396 5.74871 8.71468 14.2645 10.8421 numMergedOcc 0
10 mol 58 unq 7 iso 0 dist 6.31428 9.73139 6.44201 7.02095 6.50297 6.96494 5.74871 8.71468 14.2645 11.3634 numMergedOcc 0
11 mol 64 unq 0 iso 0 dist 9.54144 9.80142 6.23335 5.68303 8.4517 11.728 11.4485 9.32552 14.987 6.90629 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 7.64585 9.66954 12.0796 10.7942 6.40036 12.4065 6.40494 7.52142 14.9181 9.65908 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 7.16254 9.86313 7.63368 4.9093 6.51096 10.3514 10.4923 9.0529 7.55196 7.6506 numMergedOcc 0
14 mol 155 unq 1 iso 0 dist 7.16254 9.86313 7.63368 10.7896 8.73171 11.8293 10.4923 9.0529 7.55196 6.00473 numMergedOcc 0
15 mol 155 unq 2 iso 0 dist 9.86313 7.16254 7.63368 13.5062 7.37901 13.2154 11.0769 9.80845 13.3276 5.50045 numMergedOcc 0
16 mol 155 unq 3 iso 0 dist 9.86313 7.16254 7.63368 13.5062 7.37901 13.2154 10.4923 7.55196 9.0529 6.40403 numMergedOcc 0
17 mol 155 unq 4 iso 0 dist 9.14392 7.51198 7.63368 6.3437 6.51096 10.3514 6.89781 9.0529 7.55196 7.6506 numMergedOcc 0
18 mol 155 unq 5 iso 0 dist 9.14392 7.51198 7.63368 9.99927 8.73171 11.8293 6.89781 9.0529 7.55196 6.00473 numMergedOcc 0
19 mol 155 unq 6 iso 0 dist 7.51198 9.14392 7.63368 8.27726 7.37901 13.2154 5.50031 9.80845 13.3276 5.50045 numMergedOcc 0
20 mol 155 unq 7 iso 0 dist 7.51198 9.14392 7.63368 8.27726 7.37901 13.2154 6.89781 7.55196 9.0529 6.40403 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 6.94688 6.71012 5.3528 8.25067 8.20656 9.40622 6.6251 9.06217 7.13252 14.048 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 6.71012 6.94688 5.3528 8.25067 9.40622 8.20656 6.6251 7.13252 9.06217 14.048 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 6.95902 9.62609 8.55671 8.8709 7.95168 6.152 9.72615 7.57454 14.0608 9.75331 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 9.5707 7.85175 5.32617 5.56749 8.49841 10.0446 10.0059 7.43663 10.0212 7.17691 numMergedOcc 0
25 mol 234 unq 1 iso 0 dist 9.5707 7.85175 5.32617 12.1076 9.6101 10.7048 10.0059 7.43663 10.0212 4.51304 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 8.14172 8.09066 10.9258 5.68826 6.00721 11.5207 12.2874 8.90076 8.09718 13.3255 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 8.14172 8.09066 10.9258 5.68826 6.00721 11.5207 7.11984 6.62002 6.73446 9.71156 numMergedOcc 0
28 mol 238 unq 2 iso 0 dist 6.77463 7.2766 10.9258 4.87097 6.00721 11.5207 10.4017 8.90076 8.09718 13.3255 numMergedOcc 0
29 mol 238 unq 3 iso 0 dist 6.77463 7.2766 10.9258 4.87097 6.00721 11.5207 7.95232 6.62002 6.73446 9.71156 numMergedOcc 0
