0 mol 24 unq 0 iso 0 dist 9.65174 9.57743 7.7447 4.21283 8.25818 11.1587 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 7.05619 5.49377 7.7927 5.15603 5.37439 4.10953 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 7.05619 5.49377 7.7927 8.37489 8.3714 5.70353 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 7.05619 5.49377 7.7927 12.6408 6.36817 11.246 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 7.05619 6.47829 6.17378 5.15603 5.37439 5.46483 numMergedOcc 0
5 mol 48 unq 4 iso 0 dist 7.05619 6.47829 6.17378 8.37489 8.3714 7.86518 numMergedOcc 0
6 mol 48 unq 5 iso 0 dist 7.05619 6.47829 6.17378 12.6408 6.36817 9.92075 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 7.87145 13.8087 9.40687 10.2139 9.66837 13.6138 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 7.87145 9.96831 8.84576 10.2139 9.66837 12.3588 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 7.87145 5.33894 7.39732 10.2139 9.66837 4.98621 numMergedOcc 0
10 mol 107 unq 0 iso 0 dist 7.82303 6.05753 5.31375 12.8715 8.88124 9.65216 numMergedOcc 0
11 mol 107 unq 1 iso 0 dist 7.82303 6.05753 5.31375 13.2648 8.19484 8.32169 numMergedOcc 0
12 mol 107 unq 2 iso 0 dist 7.82303 12.7816 6.49371 12.8715 8.88124 10.4294 numMergedOcc 0
13 mol 107 unq 3 iso 0 dist 7.82303 12.7816 6.49371 13.2648 8.19484 3.40943 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 8.28325 7.48733 4.30875 6.39863 7.02358 3.52445 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 4.48699 4.24991 8.49847 4.9293 7.53342 6.95147 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 7.22 6.16103 6.60366 7.87644 4.3855 5.94217 numMergedOcc 0
17 mol 169 unq 0 iso 0 dist 8.21203 7.59743 4.11374 6.28641 6.96715 3.59996 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 5.13892 5.28603 4.45769 8.68259 5.10542 9.23342 numMergedOcc 0
19 mol 194 unq 1 iso 0 dist 5.13892 10.7058 8.99961 8.68259 5.10542 11.7699 numMergedOcc 0
20 mol 194 unq 2 iso 0 dist 5.78717 5.28603 5.89939 8.68259 4.68722 9.23342 numMergedOcc 0
21 mol 194 unq 3 iso 0 dist 5.78717 5.28603 5.89939 7.43058 5.18325 10.3782 numMergedOcc 0
22 mol 194 unq 4 iso 0 dist 5.78717 10.7058 8.18853 8.68259 4.68722 11.7699 numMergedOcc 0
23 mol 194 unq 5 iso 0 dist 5.78717 10.7058 8.18853 7.43058 5.18325 13.0759 numMergedOcc 0
24 mol 194 unq 6 iso 0 dist 8.2232 11.0713 4.45769 9.38176 5.10542 9.23342 numMergedOcc 0
25 mol 194 unq 7 iso 0 dist 8.2232 16.9177 8.99961 9.38176 5.10542 11.7699 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 6.20118 6.28124 8.49349 6.00226 8.66082 4.84709 numMergedOcc 0
27 mol 260 unq 0 iso 0 dist 9.25019 9.36822 9.73217 11.3153 8.62655 15.6308 numMergedOcc 0
28 mol 260 unq 1 iso 0 dist 9.25019 14.1637 7.49606 11.3153 8.62655 7.35802 numMergedOcc 0
29 mol 260 unq 2 iso 0 dist 9.25019 12.9441 8.06377 11.3153 8.62655 10.4054 numMergedOcc 0
30 mol 260 unq 3 iso 0 dist 4.64695 13.067 9.73217 5.42399 8.62655 15.6308 numMergedOcc 0
31 mol 260 unq 4 iso 0 dist 4.64695 5.38958 7.49606 5.42399 8.62655 7.35802 numMergedOcc 0
32 mol 260 unq 5 iso 0 dist 4.64695 6.07718 8.06377 5.42399 8.62655 10.4054 numMergedOcc 0
