0 mol 7 unq 0 iso 0 dist 7.10621 9.36807 10.515 13.2247 10.5461 6.36911 12.9581 6.34041 13.0969 9.68596 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 9.97507 7.12903 5.90976 9.03536 8.38064 8.21493 11.7302 4.29582 6.33828 7.07399 numMergedOcc 0
2 mol 15 unq 1 iso 0 dist 6.82505 7.12903 5.51916 9.03536 10.4158 8.21493 11.7302 8.72342 6.33828 7.07399 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 7.20519 7.82528 10.4988 7.67038 10.4091 6.20943 7.75618 4.96411 11.4087 8.40416 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 7.20519 9.80108 5.5841 7.07775 6.864 8.58657 10.741 4.97119 5.90856 6.41423 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 8.4674 6.20943 5.14627 7.67038 4.54938 7.82528 8.40416 9.74255 11.4087 7.75618 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 4.54938 7.82528 5.14627 7.67038 8.4674 6.20943 7.75618 9.74255 11.4087 8.40416 numMergedOcc 0
7 mol 19 unq 4 iso 0 dist 7.82074 8.73972 6.55187 5.03957 4.54938 8.23643 12.3215 9.74255 14.4867 7.75618 numMergedOcc 0
8 mol 19 unq 5 iso 0 dist 4.51865 6.20943 4.69858 7.67038 6.864 7.82528 8.40416 7.08342 11.4087 7.75618 numMergedOcc 0
9 mol 19 unq 6 iso 0 dist 6.864 7.82528 4.69858 7.67038 4.51865 6.20943 7.75618 7.08342 11.4087 8.40416 numMergedOcc 0
10 mol 26 unq 0 iso 0 dist 8.34347 9.16962 11.887 13.2136 18.9645 8.82012 10.177 15.5 4.98603 6.46104 numMergedOcc 0
11 mol 45 unq 0 iso 0 dist 6.43774 7.06308 4.71384 5.48601 10.8302 9.43442 10.862 12.8618 8.70414 9.53378 numMergedOcc 0
12 mol 45 unq 1 iso 0 dist 7.2846 6.34173 4.71384 5.101 10.8302 9.43442 10.6216 12.8618 8.70414 9.53378 numMergedOcc 0
13 mol 45 unq 2 iso 0 dist 7.58835 6.34173 5.67689 5.101 11.5838 9.43442 10.6216 10.7082 8.70414 9.53378 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 6.86465 8.63333 6.47744 5.35073 6.35756 8.89374 9.92355 5.78774 12.0055 7.68678 numMergedOcc 0
15 mol 58 unq 1 iso 0 dist 6.35756 8.89374 6.47744 5.35073 6.86465 8.63333 7.68678 5.78774 12.0055 9.92355 numMergedOcc 0
16 mol 58 unq 2 iso 0 dist 6.64012 6.46761 5.24906 10.8153 13.497 8.63333 14.171 14.5243 12.0055 9.92355 numMergedOcc 0
17 mol 58 unq 3 iso 0 dist 6.64012 6.46761 5.24906 8.62958 12.1902 8.89374 14.171 14.5243 12.0055 7.68678 numMergedOcc 0
18 mol 58 unq 4 iso 0 dist 9.4099 9.73139 5.24906 14.5953 13.497 8.63333 20.1318 14.5243 12.0055 9.92355 numMergedOcc 0
19 mol 58 unq 5 iso 0 dist 9.4099 9.73139 5.24906 14.176 12.1902 8.89374 20.1318 14.5243 12.0055 7.68678 numMergedOcc 0
20 mol 58 unq 6 iso 0 dist 9.55426 9.73139 13.1021 14.5953 20.7459 8.63333 20.1318 24.6924 12.0055 9.92355 numMergedOcc 0
21 mol 58 unq 7 iso 0 dist 9.55426 9.73139 13.1021 14.176 20.984 8.89374 20.1318 24.6924 12.0055 7.68678 numMergedOcc 0
22 mol 100 unq 0 iso 0 dist 9.60661 6.58204 10.9608 5.88134 6.65086 7.75343 7.01812 5.80144 10.0891 8.30845 numMergedOcc 0
23 mol 100 unq 1 iso 0 dist 9.60661 6.58204 10.9608 5.88134 6.65086 7.75343 10.0635 12.3577 4.44538 8.76378 numMergedOcc 0
24 mol 100 unq 2 iso 0 dist 7.17106 6.58204 5.01145 5.88134 10.5134 7.75343 7.01812 8.4128 10.0891 8.30845 numMergedOcc 0
25 mol 100 unq 3 iso 0 dist 7.17106 6.58204 5.01145 5.88134 10.5134 7.75343 10.0635 9.15365 4.44538 8.76378 numMergedOcc 0
26 mol 100 unq 4 iso 0 dist 9.35224 6.58204 5.69137 5.88134 6.56369 7.75343 7.01812 10.0456 10.0891 8.30845 numMergedOcc 0
27 mol 100 unq 5 iso 0 dist 9.35224 6.58204 5.69137 5.88134 6.56369 7.75343 10.0635 4.97045 4.44538 8.76378 numMergedOcc 0
28 mol 100 unq 6 iso 0 dist 7.47343 7.75343 15.209 5.88134 12.0662 6.58204 8.30845 12.2861 10.0891 7.01812 numMergedOcc 0
29 mol 100 unq 7 iso 0 dist 6.65086 7.75343 10.9608 5.88134 9.60661 6.58204 8.30845 5.80144 10.0891 7.01812 numMergedOcc 0
30 mol 100 unq 8 iso 0 dist 6.56369 7.75343 5.69137 5.88134 9.35224 6.58204 8.30845 10.0456 10.0891 7.01812 numMergedOcc 0
31 mol 100 unq 9 iso 0 dist 9.30209 7.75343 9.21622 5.88134 10.5853 6.58204 8.30845 6.70236 10.0891 7.01812 numMergedOcc 0
32 mol 114 unq 0 iso 0 dist 7.35754 7.52743 4.77056 5.59517 10.1937 8.71128 10.0237 13.1763 9.23527 6.84011 numMergedOcc 0
33 mol 119 unq 0 iso 0 dist 9.87172 6.19042 6.35763 9.22558 10.1813 8.43904 11.5311 10.8661 7.39626 6.73586 numMergedOcc 0
34 mol 130 unq 0 iso 0 dist 8.70949 6.89257 8.84655 6.83397 13.7544 6.79146 11.5527 14.7056 6.08911 7.88805 numMergedOcc 0
35 mol 130 unq 1 iso 0 dist 8.70949 6.89257 8.84655 7.50049 13.572 7.66168 11.5527 14.7056 6.08911 7.90048 numMergedOcc 0
36 mol 130 unq 2 iso 0 dist 8.70949 6.89257 8.84655 7.50049 13.572 7.66168 13.6341 13.4736 11.562 9.99802 numMergedOcc 0
37 mol 130 unq 3 iso 0 dist 8.70949 8.74308 6.76754 7.50049 13.572 9.12581 11.5527 14.7056 10.0581 7.90048 numMergedOcc 0
38 mol 130 unq 4 iso 0 dist 8.70949 8.74308 6.76754 7.50049 13.572 9.12581 13.6341 13.4736 7.20197 9.99802 numMergedOcc 0
39 mol 131 unq 0 iso 0 dist 7.12972 8.6243 6.19596 6.63273 6.85062 6.91348 12.6227 14.2045 9.93183 8.70296 numMergedOcc 0
40 mol 131 unq 1 iso 0 dist 7.12972 8.6243 6.19596 6.63273 6.85062 6.91348 11.586 5.09131 5.90177 9.25558 numMergedOcc 0
41 mol 134 unq 0 iso 0 dist 8.94367 8.79571 5.41704 8.80819 6.49416 8.6355 10.5252 9.87376 14.1488 7.80532 numMergedOcc 0
42 mol 134 unq 1 iso 0 dist 6.37586 5.42582 5.41704 5.00817 6.49416 8.6355 10.7586 9.87376 14.1488 7.80532 numMergedOcc 0
43 mol 134 unq 2 iso 0 dist 9.86662 8.79571 6.17103 8.80819 12.5075 8.6355 10.5252 14.9876 14.1488 7.80532 numMergedOcc 0
44 mol 134 unq 3 iso 0 dist 9.71307 5.42582 6.17103 5.00817 12.5075 8.6355 10.7586 14.9876 14.1488 7.80532 numMergedOcc 0
45 mol 155 unq 0 iso 0 dist 6.23493 9.17284 4.9093 10.6882 12.1555 9.87281 10.9606 10.4923 7.6506 8.69157 numMergedOcc 0
46 mol 155 unq 1 iso 0 dist 7.46303 9.17284 6.3437 10.6882 12.3052 9.87281 10.9606 6.89781 7.6506 8.69157 numMergedOcc 0
47 mol 155 unq 2 iso 0 dist 6.43582 7.36102 8.27726 10.7616 10.7829 7.39644 10.3161 6.89781 6.40403 6.53347 numMergedOcc 0
48 mol 156 unq 0 iso 0 dist 7.44554 9.36805 6.29785 5.76755 10.4649 8.47155 9.47433 11.9952 10.0003 6.30021 numMergedOcc 0
49 mol 156 unq 1 iso 0 dist 9.83699 7.55203 6.29785 7.60354 10.4649 8.47155 13.0431 11.9952 10.0003 6.30021 numMergedOcc 0
50 mol 156 unq 2 iso 0 dist 9.83699 7.55203 6.29785 8.38403 7.44554 9.36805 10.3379 5.4555 10.143 9.44367 numMergedOcc 0
51 mol 156 unq 3 iso 0 dist 9.83699 7.55203 6.29785 8.38403 7.44554 9.36805 13.0431 11.9952 10.0003 9.47433 numMergedOcc 0
52 mol 234 unq 0 iso 0 dist 9.45496 7.85175 11.216 5.88703 6.56247 6.25105 13.293 4.46561 13.0631 9.81425 numMergedOcc 0
53 mol 234 unq 1 iso 0 dist 6.7625 7.85175 11.4315 5.88703 9.36357 6.25105 13.293 10.641 13.0631 9.81425 numMergedOcc 0
54 mol 235 unq 0 iso 0 dist 5.4638 9.58736 9.66021 9.85037 11.9862 9.43058 16.0017 16.707 17.5445 9.21736 numMergedOcc 0
55 mol 235 unq 1 iso 0 dist 5.4638 9.58736 9.66021 16.4493 15.3051 6.98084 19.3751 17.6309 11.921 8.69356 numMergedOcc 0
