0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 9.68596 14.7759 13.0969 13.2247 12.2333 9.36807 12.9581 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 8.38064 8.21493 5.90976 7.07399 4.29582 6.33828 9.03536 9.97507 7.12903 11.7302 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.20519 8.23643 11.0832 7.75618 4.96411 14.4867 5.03957 12.1187 8.73972 12.3215 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 7.20519 7.82528 10.4988 7.75618 4.96411 11.4087 10.8007 15.679 6.00439 15.4288 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 7.20519 7.82528 10.4988 7.75618 4.96411 11.4087 7.67038 10.4091 6.20943 8.40416 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 8.4674 6.20943 5.14627 8.40416 9.74255 11.4087 7.83352 9.78944 6.00439 15.4288 numMergedOcc 0
6 mol 19 unq 4 iso 0 dist 8.4674 6.20943 5.14627 8.40416 9.74255 11.4087 7.67038 4.54938 7.82528 7.75618 numMergedOcc 0
7 mol 19 unq 5 iso 0 dist 4.54938 8.23643 6.55187 7.75618 9.74255 14.4867 5.03957 7.82074 8.73972 12.3215 numMergedOcc 0
8 mol 19 unq 6 iso 0 dist 4.54938 7.82528 5.14627 7.75618 9.74255 11.4087 10.8007 9.78944 6.00439 15.4288 numMergedOcc 0
9 mol 19 unq 7 iso 0 dist 4.54938 7.82528 5.14627 7.75618 9.74255 11.4087 7.67038 8.4674 6.20943 8.40416 numMergedOcc 0
10 mol 19 unq 8 iso 0 dist 4.51865 6.20943 4.69858 8.40416 7.08342 11.4087 7.83352 9.56313 6.00439 15.4288 numMergedOcc 0
11 mol 19 unq 9 iso 0 dist 4.51865 6.20943 4.69858 8.40416 7.08342 11.4087 7.67038 6.864 7.82528 7.75618 numMergedOcc 0
12 mol 19 unq 10 iso 0 dist 4.51865 8.58657 6.74265 6.41423 4.64838 5.90856 7.07775 10.4091 9.80108 10.741 numMergedOcc 0
13 mol 19 unq 11 iso 0 dist 6.864 8.23643 12.3093 7.75618 7.08342 14.4867 5.03957 11.0366 8.73972 12.3215 numMergedOcc 0
14 mol 19 unq 12 iso 0 dist 6.864 7.82528 4.69858 7.75618 7.08342 11.4087 10.8007 9.56313 6.00439 15.4288 numMergedOcc 0
15 mol 19 unq 13 iso 0 dist 6.864 7.82528 4.69858 7.75618 7.08342 11.4087 7.67038 4.51865 6.20943 8.40416 numMergedOcc 0
16 mol 19 unq 14 iso 0 dist 6.864 8.58657 5.5841 6.41423 4.97119 5.90856 7.07775 7.20519 9.80108 10.741 numMergedOcc 0
17 mol 58 unq 0 iso 0 dist 6.81627 8.26899 5.98837 7.21955 7.09066 10.8421 7.08557 12.0187 9.33535 13.2397 numMergedOcc 0
18 mol 58 unq 1 iso 0 dist 7.32874 8.26899 4.55117 7.21955 7.12541 10.8421 7.08557 10.1508 9.33535 13.2397 numMergedOcc 0
19 mol 58 unq 2 iso 0 dist 6.86465 8.63333 6.47744 9.92355 5.78774 12.0055 5.35073 6.35756 8.89374 7.68678 numMergedOcc 0
20 mol 58 unq 3 iso 0 dist 6.86465 8.63333 6.47744 9.92355 5.78774 12.0055 10.8153 10.3224 6.46761 14.171 numMergedOcc 0
21 mol 58 unq 4 iso 0 dist 6.86465 8.63333 6.47744 9.92355 5.78774 12.0055 14.5953 15.4557 9.73139 20.1318 numMergedOcc 0
22 mol 58 unq 5 iso 0 dist 6.35756 8.89374 6.47744 7.68678 5.78774 12.0055 5.35073 6.86465 8.63333 9.92355 numMergedOcc 0
23 mol 58 unq 6 iso 0 dist 6.35756 8.89374 6.47744 7.68678 5.78774 12.0055 8.62958 10.3224 6.46761 14.171 numMergedOcc 0
24 mol 58 unq 7 iso 0 dist 6.35756 8.89374 6.47744 7.68678 5.78774 12.0055 14.176 15.4557 9.73139 20.1318 numMergedOcc 0
25 mol 58 unq 8 iso 0 dist 9.55426 8.26899 10.3782 7.21955 5.74871 10.8421 7.08557 12.7357 9.33535 13.2397 numMergedOcc 0
26 mol 72 unq 0 iso 0 dist 8.8178 6.77912 12.0644 9.27838 15.434 4.67641 5.36766 12.8385 8.624 11.1896 numMergedOcc 0
27 mol 72 unq 1 iso 0 dist 9.96708 6.77912 7.11552 9.27838 11.6378 4.67641 5.36766 10.8086 8.624 11.1896 numMergedOcc 0
28 mol 100 unq 0 iso 0 dist 9.60661 6.58204 10.9608 7.01812 5.80144 10.0891 5.88134 6.65086 7.75343 8.30845 numMergedOcc 0
29 mol 100 unq 1 iso 0 dist 7.17106 6.58204 5.01145 7.01812 8.4128 10.0891 5.88134 10.5134 7.75343 8.30845 numMergedOcc 0
30 mol 100 unq 2 iso 0 dist 9.35224 6.58204 5.69137 7.01812 10.0456 10.0891 5.88134 6.56369 7.75343 8.30845 numMergedOcc 0
31 mol 100 unq 3 iso 0 dist 7.47343 7.75343 15.209 8.30845 12.2861 10.0891 5.88134 12.0662 6.58204 7.01812 numMergedOcc 0
32 mol 100 unq 4 iso 0 dist 7.47343 7.75343 15.209 8.76378 15.5385 4.44538 5.88134 12.0662 6.58204 10.0635 numMergedOcc 0
33 mol 100 unq 5 iso 0 dist 6.65086 7.75343 10.9608 8.30845 5.80144 10.0891 5.88134 9.60661 6.58204 7.01812 numMergedOcc 0
34 mol 100 unq 6 iso 0 dist 6.65086 7.75343 10.9608 8.76378 12.3577 4.44538 5.88134 9.60661 6.58204 10.0635 numMergedOcc 0
35 mol 100 unq 7 iso 0 dist 6.56369 7.75343 5.69137 8.30845 10.0456 10.0891 5.88134 9.35224 6.58204 7.01812 numMergedOcc 0
36 mol 100 unq 8 iso 0 dist 6.56369 7.75343 5.69137 8.76378 4.97045 4.44538 5.88134 9.35224 6.58204 10.0635 numMergedOcc 0
37 mol 100 unq 9 iso 0 dist 9.30209 7.75343 9.21622 8.30845 6.70236 10.0891 5.88134 10.5853 6.58204 7.01812 numMergedOcc 0
38 mol 100 unq 10 iso 0 dist 9.30209 7.75343 9.21622 8.76378 10.7791 4.44538 5.88134 10.5853 6.58204 10.0635 numMergedOcc 0
39 mol 109 unq 0 iso 0 dist 8.69985 5.87358 9.46098 7.80523 7.74599 6.89298 4.98336 13.4572 9.20981 12.2341 numMergedOcc 0
40 mol 114 unq 0 iso 0 dist 7.5732 8.71128 5.80557 6.84011 7.436 9.23527 5.59517 10.1027 7.52743 10.0237 numMergedOcc 0
41 mol 119 unq 0 iso 0 dist 6.18601 8.43904 10.3457 6.73586 5.13589 7.39626 9.22558 13.9919 6.19042 11.5311 numMergedOcc 0
42 mol 131 unq 0 iso 0 dist 6.85062 6.91348 6.19596 8.70296 14.2045 9.93183 6.63273 7.12972 8.6243 12.6227 numMergedOcc 0
43 mol 131 unq 1 iso 0 dist 6.85062 6.91348 6.19596 9.25558 5.09131 5.90177 6.63273 7.12972 8.6243 11.586 numMergedOcc 0
44 mol 134 unq 0 iso 0 dist 6.54501 8.6355 10.1448 7.80532 7.41674 14.1488 8.80819 11.9139 8.79571 10.5252 numMergedOcc 0
45 mol 134 unq 1 iso 0 dist 6.54501 8.6355 10.1448 7.80532 7.41674 14.1488 5.00817 9.5126 5.42582 10.7586 numMergedOcc 0
46 mol 134 unq 2 iso 0 dist 6.49416 8.6355 5.41704 7.80532 9.87376 14.1488 8.80819 8.94367 8.79571 10.5252 numMergedOcc 0
47 mol 134 unq 3 iso 0 dist 6.49416 8.6355 5.41704 7.80532 9.87376 14.1488 5.00817 6.37586 5.42582 10.7586 numMergedOcc 0
48 mol 155 unq 0 iso 0 dist 6.43582 7.36102 8.27726 7.92304 5.50031 5.50045 10.7616 10.7829 7.39644 11.1616 numMergedOcc 0
49 mol 156 unq 0 iso 0 dist 7.44554 9.36805 6.29785 9.44367 5.4555 10.143 5.76755 10.4649 8.47155 13.5699 numMergedOcc 0
50 mol 156 unq 1 iso 0 dist 7.44554 9.36805 6.29785 9.44367 5.4555 10.143 8.38403 9.83699 7.55203 10.3379 numMergedOcc 0
51 mol 156 unq 2 iso 0 dist 7.44554 9.36805 6.29785 9.47433 11.9952 10.0003 5.76755 10.4649 8.47155 6.30021 numMergedOcc 0
52 mol 156 unq 3 iso 0 dist 7.44554 9.36805 6.29785 9.47433 11.9952 10.0003 8.38403 9.83699 7.55203 13.0431 numMergedOcc 0
53 mol 234 unq 0 iso 0 dist 8.34494 6.25105 10.3337 9.81425 4.3717 13.0631 5.88703 12.9605 7.85175 13.293 numMergedOcc 0
54 mol 234 unq 1 iso 0 dist 6.56247 6.25105 11.216 9.81425 4.46561 13.0631 5.88703 9.45496 7.85175 13.293 numMergedOcc 0
55 mol 234 unq 2 iso 0 dist 9.36357 6.25105 11.4315 9.81425 10.641 13.0631 5.88703 6.7625 7.85175 13.293 numMergedOcc 0
56 mol 235 unq 0 iso 0 dist 5.4638 9.58736 9.66021 9.55668 7.60081 13.128 9.85037 11.9862 9.43058 10.076 numMergedOcc 0
57 mol 235 unq 1 iso 0 dist 5.4638 9.58736 9.66021 9.55668 7.60081 13.128 13.6669 15.2592 8.75735 14.3922 numMergedOcc 0
58 mol 235 unq 2 iso 0 dist 5.4638 9.58736 9.66021 9.55668 7.60081 13.128 16.4493 15.3051 6.98084 18.022 numMergedOcc 0
59 mol 235 unq 3 iso 0 dist 5.4638 9.58736 9.66021 9.55668 7.60081 13.128 15.4 16.4776 7.32211 20.3456 numMergedOcc 0
60 mol 238 unq 0 iso 0 dist 5.72887 9.29858 13.069 9.24557 14.7883 10.3809 10.1648 12.8711 9.68513 10.1217 numMergedOcc 0
61 mol 249 unq 0 iso 0 dist 7.57994 8.83735 5.23473 5.48118 10.7772 10.639 8.34718 11.7594 8.96876 10.0024 numMergedOcc 0
62 mol 249 unq 1 iso 0 dist 6.18582 8.83735 7.38675 5.48118 7.04666 10.639 8.34718 12.2913 8.96876 10.0024 numMergedOcc 0
