0 mol 19 unq 0 iso 0 dist 8.4674 4.51865 5.80928 6.20943 5.14627 4.69858 8.40416 9.74255 7.08342 11.4087 7.67038 4.54938 6.864 7.82528 7.75618 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.4674 4.51865 5.80928 6.20943 5.14627 4.69858 8.40416 9.74255 7.08342 11.4087 10.3915 7.82074 11.0366 10.2708 12.3215 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 4.54938 7.20519 7.34551 8.78293 10.9543 5.31524 7.75618 9.74255 4.96411 6.2337 7.67038 8.4674 10.4091 13.4721 8.40416 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 4.54938 7.20519 7.34551 8.78293 10.9543 5.31524 7.75618 9.74255 4.96411 6.2337 5.03957 7.82074 12.1187 12.6444 12.3215 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 4.54938 7.20519 7.34551 8.23643 6.55187 11.0832 7.75618 9.74255 4.96411 14.4867 7.67038 8.4674 10.4091 14.6255 8.40416 numMergedOcc 0
5 mol 19 unq 5 iso 0 dist 4.54938 7.20519 7.34551 8.23643 6.55187 11.0832 7.75618 9.74255 4.96411 14.4867 5.03957 7.82074 12.1187 8.73972 12.3215 numMergedOcc 0
6 mol 19 unq 6 iso 0 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 7.75618 9.74255 4.96411 11.4087 7.67038 8.4674 10.4091 6.20943 8.40416 numMergedOcc 0
7 mol 19 unq 7 iso 0 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 7.75618 9.74255 4.96411 11.4087 5.03957 7.82074 12.1187 10.2708 12.3215 numMergedOcc 0
8 mol 19 unq 8 iso 0 dist 4.54938 6.864 5.80928 8.78293 10.9543 11.4401 7.75618 9.74255 7.08342 6.2337 7.67038 8.4674 4.51865 13.4721 8.40416 numMergedOcc 0
9 mol 19 unq 9 iso 0 dist 4.54938 6.864 5.80928 8.78293 10.9543 11.4401 7.75618 9.74255 7.08342 6.2337 5.03957 7.82074 11.0366 12.6444 12.3215 numMergedOcc 0
10 mol 19 unq 10 iso 0 dist 4.54938 6.864 5.80928 8.23643 6.55187 12.3093 7.75618 9.74255 7.08342 14.4867 7.67038 8.4674 4.51865 14.6255 8.40416 numMergedOcc 0
11 mol 19 unq 11 iso 0 dist 4.54938 6.864 5.80928 8.23643 6.55187 12.3093 7.75618 9.74255 7.08342 14.4867 5.03957 7.82074 11.0366 8.73972 12.3215 numMergedOcc 0
12 mol 19 unq 12 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 7.75618 9.74255 7.08342 11.4087 7.67038 8.4674 4.51865 6.20943 8.40416 numMergedOcc 0
13 mol 19 unq 13 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 7.75618 9.74255 7.08342 11.4087 5.03957 7.82074 11.0366 10.2708 12.3215 numMergedOcc 0
14 mol 19 unq 14 iso 0 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 8.40416 7.08342 9.74255 11.4087 7.67038 6.864 4.54938 7.82528 7.75618 numMergedOcc 0
15 mol 19 unq 15 iso 0 dist 4.51865 6.864 7.67038 8.58657 6.74265 5.5841 6.41423 4.64838 4.97119 5.90856 5.80928 8.4674 4.54938 9.58539 6.41575 numMergedOcc 0
16 mol 19 unq 16 iso 0 dist 6.864 7.20519 7.07775 8.78293 11.4401 5.31524 7.75618 7.08342 4.96411 6.2337 7.67038 4.51865 10.4091 13.4721 8.40416 numMergedOcc 0
17 mol 19 unq 17 iso 0 dist 6.864 7.20519 7.07775 8.23643 12.3093 11.0832 7.75618 7.08342 4.96411 14.4867 7.67038 4.51865 10.4091 14.6255 8.40416 numMergedOcc 0
18 mol 19 unq 18 iso 0 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 7.75618 7.08342 4.96411 11.4087 7.67038 4.51865 10.4091 6.20943 8.40416 numMergedOcc 0
19 mol 19 unq 19 iso 0 dist 6.864 4.54938 5.80928 8.78293 11.4401 10.9543 7.75618 7.08342 9.74255 6.2337 7.67038 4.51865 8.4674 13.4721 8.40416 numMergedOcc 0
20 mol 19 unq 20 iso 0 dist 6.864 4.54938 5.80928 8.23643 12.3093 6.55187 7.75618 7.08342 9.74255 14.4867 7.67038 4.51865 8.4674 14.6255 8.40416 numMergedOcc 0
21 mol 19 unq 21 iso 0 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 7.75618 7.08342 9.74255 11.4087 7.67038 4.51865 8.4674 6.20943 8.40416 numMergedOcc 0
22 mol 19 unq 22 iso 0 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 6.41423 4.97119 4.64838 5.90856 7.07775 7.20519 10.4091 9.80108 10.741 numMergedOcc 0
23 mol 19 unq 23 iso 0 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 6.41423 4.97119 4.64838 5.90856 5.80928 4.54938 8.4674 9.58539 6.41575 numMergedOcc 0
24 mol 43 unq 0 iso 0 dist 6.20293 8.80331 8.13395 9.83618 9.49077 10.4442 8.95682 8.38399 6.18002 4.54282 5.06502 5.73819 10.5523 13.5377 12.3649 numMergedOcc 0
25 mol 43 unq 1 iso 0 dist 6.20293 8.80331 8.13395 9.83618 9.49077 10.4442 8.95682 8.38399 6.18002 4.54282 6.45462 8.93915 14.7803 13.7177 14.3789 numMergedOcc 0
26 mol 58 unq 0 iso 0 dist 9.55426 6.81627 9.7274 8.26899 10.3782 5.98837 7.21955 5.74871 7.09066 10.8421 10.6169 9.4099 15.2973 13.7148 12.3035 numMergedOcc 0
27 mol 58 unq 1 iso 0 dist 9.55426 7.32874 5.90225 8.26899 10.3782 4.55117 7.21955 5.74871 7.12541 10.8421 10.6169 9.4099 11.396 13.7148 12.3035 numMergedOcc 0
28 mol 59 unq 0 iso 0 dist 7.71095 8.84665 12.5396 8.24062 5.3525 11.0387 6.73347 9.64444 4.36133 7.0313 10.0246 6.85766 17.79 10.6318 14.8852 numMergedOcc 0
29 mol 59 unq 1 iso 0 dist 7.71095 8.25513 8.19458 8.24062 5.3525 9.15805 6.73347 9.64444 6.66692 7.0313 10.0246 6.85766 14.0127 10.6318 14.8852 numMergedOcc 0
30 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 9.27838 11.6378 15.434 4.67641 8.24309 9.78528 9.84449 11.9814 16.0048 numMergedOcc 0
31 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 6.58204 10.9608 5.01145 7.01812 5.80144 8.4128 10.0891 5.88134 6.65086 10.5134 7.75343 8.30845 numMergedOcc 0
32 mol 100 unq 1 iso 0 dist 9.60661 9.35224 7.80879 6.58204 10.9608 5.69137 7.01812 5.80144 10.0456 10.0891 5.88134 6.65086 6.56369 7.75343 8.30845 numMergedOcc 0
33 mol 100 unq 2 iso 0 dist 9.35224 9.60661 7.80879 6.58204 5.69137 10.9608 7.01812 10.0456 5.80144 10.0891 5.88134 6.56369 6.65086 7.75343 8.30845 numMergedOcc 0
34 mol 100 unq 3 iso 0 dist 9.35224 7.17106 8.87654 6.58204 5.69137 5.01145 7.01812 10.0456 8.4128 10.0891 5.88134 6.56369 10.5134 7.75343 8.30845 numMergedOcc 0
35 mol 100 unq 4 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 7.38135 11.2312 7.11701 11.0949 8.8807 6.65086 10.1409 10.5193 15.4031 numMergedOcc 0
36 mol 100 unq 5 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 7.38135 11.2312 7.11701 11.0949 12.6515 6.56369 11.8665 15.8984 17.2419 numMergedOcc 0
37 mol 100 unq 6 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 7.38135 11.2312 7.11701 11.0949 13.887 9.30209 13.912 14.8726 19.8941 numMergedOcc 0
38 mol 100 unq 7 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 7.38135 11.2312 7.79768 11.0949 8.8807 6.65086 14.9102 10.5193 15.4031 numMergedOcc 0
39 mol 100 unq 8 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 7.38135 11.2312 7.79768 11.0949 12.6515 6.56369 13.6959 15.8984 17.2419 numMergedOcc 0
40 mol 100 unq 9 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 7.38135 11.2312 7.79768 11.0949 13.887 9.30209 18.2109 14.8726 19.8941 numMergedOcc 0
41 mol 100 unq 10 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 8.30845 12.2861 5.80144 10.0891 5.33144 6.45675 10.1409 11.8016 10.6086 numMergedOcc 0
42 mol 100 unq 11 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 8.30845 12.2861 5.80144 10.0891 10.1407 8.86688 14.9102 15.6924 18.1777 numMergedOcc 0
43 mol 100 unq 12 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 8.76378 15.5385 12.3577 4.44538 5.33144 6.45675 10.1409 11.8016 13.2102 numMergedOcc 0
44 mol 100 unq 13 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 8.76378 15.5385 12.3577 4.44538 10.1407 8.86688 14.9102 15.6924 14.0386 numMergedOcc 0
45 mol 100 unq 14 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 8.30845 12.2861 10.0456 10.0891 5.33144 6.45675 11.8665 11.8016 10.6086 numMergedOcc 0
46 mol 100 unq 15 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 8.30845 12.2861 10.0456 10.0891 10.1407 8.86688 13.6959 15.6924 18.1777 numMergedOcc 0
47 mol 100 unq 16 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 8.76378 15.5385 4.97045 4.44538 5.33144 6.45675 11.8665 11.8016 13.2102 numMergedOcc 0
48 mol 100 unq 17 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 8.76378 15.5385 4.97045 4.44538 10.1407 8.86688 13.6959 15.6924 14.0386 numMergedOcc 0
49 mol 100 unq 18 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 8.30845 12.2861 6.70236 10.0891 5.33144 6.45675 13.912 11.8016 10.6086 numMergedOcc 0
50 mol 100 unq 19 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 8.30845 12.2861 6.70236 10.0891 10.1407 8.86688 18.2109 15.6924 18.1777 numMergedOcc 0
51 mol 100 unq 20 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 8.76378 15.5385 10.7791 4.44538 5.33144 6.45675 13.912 11.8016 13.2102 numMergedOcc 0
52 mol 100 unq 21 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 8.76378 15.5385 10.7791 4.44538 10.1407 8.86688 18.2109 15.6924 14.0386 numMergedOcc 0
53 mol 100 unq 22 iso 0 dist 6.65086 7.47343 8.8807 7.75343 10.9608 15.209 8.30845 5.80144 12.2861 10.0891 5.88134 9.60661 12.0662 6.58204 7.01812 numMergedOcc 0
54 mol 100 unq 23 iso 0 dist 6.65086 7.47343 8.8807 7.75343 10.9608 15.209 8.76378 12.3577 15.5385 4.44538 5.88134 9.60661 12.0662 6.58204 10.0635 numMergedOcc 0
55 mol 100 unq 24 iso 0 dist 6.65086 6.56369 7.80879 7.75343 10.9608 5.69137 8.30845 5.80144 10.0456 10.0891 5.88134 9.60661 9.35224 6.58204 7.01812 numMergedOcc 0
56 mol 100 unq 25 iso 0 dist 6.65086 6.56369 7.80879 7.75343 10.9608 5.69137 8.76378 12.3577 4.97045 4.44538 5.88134 9.60661 9.35224 6.58204 10.0635 numMergedOcc 0
57 mol 100 unq 26 iso 0 dist 6.65086 9.30209 5.38414 7.75343 10.9608 9.21622 8.30845 5.80144 6.70236 10.0891 5.88134 9.60661 10.5853 6.58204 7.01812 numMergedOcc 0
58 mol 100 unq 27 iso 0 dist 6.65086 9.30209 5.38414 7.75343 10.9608 9.21622 8.76378 12.3577 10.7791 4.44538 5.88134 9.60661 10.5853 6.58204 10.0635 numMergedOcc 0
59 mol 100 unq 28 iso 0 dist 6.56369 7.47343 12.6515 7.75343 5.69137 15.209 8.30845 10.0456 12.2861 10.0891 5.88134 9.35224 12.0662 6.58204 7.01812 numMergedOcc 0
60 mol 100 unq 29 iso 0 dist 6.56369 7.47343 12.6515 7.75343 5.69137 15.209 8.76378 4.97045 15.5385 4.44538 5.88134 9.35224 12.0662 6.58204 10.0635 numMergedOcc 0
61 mol 100 unq 30 iso 0 dist 6.56369 6.65086 7.80879 7.75343 5.69137 10.9608 8.30845 10.0456 5.80144 10.0891 5.88134 9.35224 9.60661 6.58204 7.01812 numMergedOcc 0
62 mol 100 unq 31 iso 0 dist 6.56369 6.65086 7.80879 7.75343 5.69137 10.9608 8.76378 4.97045 12.3577 4.44538 5.88134 9.35224 9.60661 6.58204 10.0635 numMergedOcc 0
63 mol 100 unq 32 iso 0 dist 6.56369 9.30209 6.39938 7.75343 5.69137 9.21622 8.30845 10.0456 6.70236 10.0891 5.88134 9.35224 10.5853 6.58204 7.01812 numMergedOcc 0
64 mol 100 unq 33 iso 0 dist 6.56369 9.30209 6.39938 7.75343 5.69137 9.21622 8.76378 4.97045 10.7791 4.44538 5.88134 9.35224 10.5853 6.58204 10.0635 numMergedOcc 0
65 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 8.6355 10.1448 5.41704 7.80532 7.41674 9.87376 14.1488 5.79898 9.89303 9.93925 12.0514 5.83771 numMergedOcc 0
66 mol 134 unq 1 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 7.80532 9.87376 7.41674 14.1488 8.80819 8.94367 11.9139 8.79571 10.5252 numMergedOcc 0
67 mol 134 unq 2 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 7.80532 9.87376 7.41674 14.1488 5.00817 6.37586 9.5126 5.42582 10.7586 numMergedOcc 0
68 mol 156 unq 0 iso 0 dist 8.94056 7.44554 5.56175 6.27641 8.67156 7.29758 9.4013 6.13574 5.71511 5.05683 10.1658 7.66148 12.0598 10.9818 11.1147 numMergedOcc 0
69 mol 156 unq 1 iso 0 dist 8.94056 9.83699 11.2719 6.27641 8.67156 4.53931 9.4013 6.13574 5.80008 5.05683 10.1658 7.66148 15.1382 10.9818 11.1147 numMergedOcc 0
70 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.94688 6.25083 5.86342 8.90963 8.91338 9.81073 4.43678 13.2049 8.03334 10.7062 12.1309 16.082 numMergedOcc 0
71 mol 181 unq 1 iso 0 dist 9.1374 5.98885 8.88798 6.71012 4.77278 9.14057 8.90963 8.91338 9.81073 6.03415 13.2049 8.03334 10.7062 12.2058 16.082 numMergedOcc 0
72 mol 181 unq 2 iso 0 dist 9.1374 9.15386 12.1628 6.94688 6.25083 6.80228 8.90963 8.91338 9.34211 4.43678 13.2049 8.03334 14.9794 12.1309 16.082 numMergedOcc 0
73 mol 181 unq 3 iso 0 dist 9.1374 9.15386 12.1628 6.71012 4.77278 11.6919 8.90963 8.91338 9.34211 6.03415 13.2049 8.03334 14.9794 12.2058 16.082 numMergedOcc 0
74 mol 181 unq 4 iso 0 dist 5.98885 9.1374 8.88798 6.94688 5.86342 6.25083 8.90963 9.81073 8.91338 4.43678 10.1912 9.09537 15.0228 14.4632 18.0578 numMergedOcc 0
75 mol 181 unq 5 iso 0 dist 5.98885 9.1374 8.88798 6.71012 9.14057 4.77278 8.90963 9.81073 8.91338 6.03415 10.1912 9.09537 15.0228 15.4777 18.0578 numMergedOcc 0
76 mol 181 unq 6 iso 0 dist 5.98885 9.15386 5.16002 6.94688 5.86342 6.80228 8.90963 9.81073 9.34211 4.43678 10.1912 9.09537 12.9862 14.4632 18.0578 numMergedOcc 0
77 mol 181 unq 7 iso 0 dist 5.98885 9.15386 5.16002 6.71012 9.14057 11.6919 8.90963 9.81073 9.34211 6.03415 10.1912 9.09537 12.9862 15.4777 18.0578 numMergedOcc 0
78 mol 181 unq 8 iso 0 dist 5.98885 9.09537 10.1912 7.20046 5.4601 6.14208 9.72611 5.6044 12.9468 9.87435 8.88798 9.1374 15.0228 10.2276 14.2254 numMergedOcc 0
79 mol 181 unq 9 iso 0 dist 5.98885 9.09537 10.1912 7.20046 5.4601 6.14208 9.72611 5.6044 12.9468 9.87435 5.16002 9.15386 12.9862 11.968 10.428 numMergedOcc 0
80 mol 181 unq 10 iso 0 dist 5.98885 9.09537 10.1912 7.20046 5.4601 6.14208 7.99195 6.6251 10.09 4.69841 8.88798 9.1374 15.0228 10.2276 6.2479 numMergedOcc 0
81 mol 181 unq 11 iso 0 dist 5.98885 9.09537 10.1912 7.20046 5.4601 6.14208 7.99195 6.6251 10.09 4.69841 5.16002 9.15386 12.9862 11.968 12.8533 numMergedOcc 0
82 mol 181 unq 12 iso 0 dist 5.98885 9.09537 10.1912 7.13543 10.0524 5.95965 9.72611 5.6044 12.9468 14.6648 8.88798 9.1374 15.0228 10.7636 14.2254 numMergedOcc 0
83 mol 181 unq 13 iso 0 dist 5.98885 9.09537 10.1912 7.13543 10.0524 5.95965 9.72611 5.6044 12.9468 14.6648 5.16002 9.15386 12.9862 11.8099 10.428 numMergedOcc 0
84 mol 181 unq 14 iso 0 dist 5.98885 9.09537 10.1912 7.13543 10.0524 5.95965 7.99195 6.6251 10.09 7.23063 8.88798 9.1374 15.0228 10.7636 6.2479 numMergedOcc 0
85 mol 181 unq 15 iso 0 dist 5.98885 9.09537 10.1912 7.13543 10.0524 5.95965 7.99195 6.6251 10.09 7.23063 5.16002 9.15386 12.9862 11.8099 12.8533 numMergedOcc 0
86 mol 234 unq 0 iso 0 dist 6.56247 8.34494 6.29886 6.25105 11.216 10.3337 9.81425 4.46561 4.3717 13.0631 5.88703 9.45496 12.9605 7.85175 13.293 numMergedOcc 0
87 mol 234 unq 1 iso 0 dist 6.56247 9.36357 7.82322 6.25105 11.216 11.4315 9.81425 4.46561 10.641 13.0631 5.88703 9.45496 6.7625 7.85175 13.293 numMergedOcc 0
88 mol 234 unq 2 iso 0 dist 9.36357 8.34494 12.1694 6.25105 11.4315 10.3337 9.81425 10.641 4.3717 13.0631 5.88703 6.7625 12.9605 7.85175 13.293 numMergedOcc 0
89 mol 234 unq 3 iso 0 dist 9.36357 6.56247 7.82322 6.25105 11.4315 11.216 9.81425 10.641 4.46561 13.0631 5.88703 6.7625 9.45496 7.85175 13.293 numMergedOcc 0
