0 mol 0 unq 0 iso 0 dist 9.6994 9.23213 5.08793 7.40865 9.11323 9.30151 5.24778 11.2072 8.34244 10.4616 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.15528 9.23213 10.4498 7.40865 9.46298 9.30151 5.24778 11.2263 8.34244 10.4616 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 9.68596 14.7759 13.0969 5.03847 10.3148 9.97624 6.14469 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 7.20519 7.82528 10.4988 7.75618 4.96411 11.4087 15.119 19.7849 9.85134 19.1389 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 7.20519 7.82528 10.4988 7.75618 4.96411 11.4087 4.97119 10.741 5.82366 9.95212 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 8.4674 6.20943 5.14627 8.40416 9.74255 11.4087 10.943 14.129 9.85134 19.1389 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 8.4674 6.20943 5.14627 8.40416 9.74255 11.4087 4.64838 6.41575 5.82366 9.95212 numMergedOcc 0
7 mol 19 unq 4 iso 0 dist 4.54938 7.82528 5.14627 7.75618 9.74255 11.4087 15.119 14.129 9.85134 19.1389 numMergedOcc 0
8 mol 19 unq 5 iso 0 dist 4.54938 7.82528 5.14627 7.75618 9.74255 11.4087 4.97119 6.41575 5.82366 9.95212 numMergedOcc 0
9 mol 19 unq 6 iso 0 dist 4.51865 6.20943 4.69858 8.40416 7.08342 11.4087 10.943 13.212 9.85134 19.1389 numMergedOcc 0
10 mol 19 unq 7 iso 0 dist 4.51865 6.20943 4.69858 8.40416 7.08342 11.4087 4.64838 6.41423 5.82366 9.95212 numMergedOcc 0
11 mol 19 unq 8 iso 0 dist 4.51865 8.58657 6.74265 6.41423 4.64838 5.90856 13.0631 13.287 8.19695 13.4008 numMergedOcc 0
12 mol 19 unq 9 iso 0 dist 4.51865 8.58657 6.74265 6.41423 4.64838 5.90856 7.08342 8.40416 7.02548 9.95212 numMergedOcc 0
13 mol 19 unq 10 iso 0 dist 6.864 7.82528 4.69858 7.75618 7.08342 11.4087 15.119 13.212 9.85134 19.1389 numMergedOcc 0
14 mol 19 unq 11 iso 0 dist 6.864 7.82528 4.69858 7.75618 7.08342 11.4087 4.97119 6.41423 5.82366 9.95212 numMergedOcc 0
15 mol 19 unq 12 iso 0 dist 6.864 8.58657 5.5841 6.41423 4.97119 5.90856 13.0631 10.3056 8.19695 13.4008 numMergedOcc 0
16 mol 19 unq 13 iso 0 dist 6.864 8.58657 5.5841 6.41423 4.97119 5.90856 7.08342 7.75618 7.02548 9.95212 numMergedOcc 0
17 mol 54 unq 0 iso 0 dist 9.5589 5.02241 6.91765 7.21717 15.293 11.0681 4.29856 10.6808 6.30987 10.7227 numMergedOcc 0
18 mol 54 unq 1 iso 0 dist 6.83299 5.02241 5.06052 7.21717 13.86 11.0681 4.29856 6.14538 6.30987 10.7227 numMergedOcc 0
19 mol 54 unq 2 iso 0 dist 8.10861 5.02241 10.1332 7.21717 5.99981 11.0681 4.29856 10.4158 6.30987 10.7227 numMergedOcc 0
20 mol 58 unq 0 iso 0 dist 6.86465 8.63333 6.47744 9.92355 5.78774 12.0055 10.2049 8.80614 9.11258 10.2007 numMergedOcc 0
21 mol 58 unq 1 iso 0 dist 6.35756 8.89374 6.47744 7.68678 5.78774 12.0055 5.49591 8.80614 9.11258 10.2007 numMergedOcc 0
22 mol 100 unq 0 iso 0 dist 6.45675 8.72704 7.2495 7.38135 7.11701 11.0949 10.6245 9.91958 6.0652 15.5219 numMergedOcc 0
23 mol 100 unq 1 iso 0 dist 7.47343 8.72704 10.1589 7.38135 11.2312 11.0949 10.6245 9.5074 6.0652 15.5219 numMergedOcc 0
24 mol 100 unq 2 iso 0 dist 8.86688 8.72704 15.9331 7.38135 7.79768 11.0949 10.6245 18.0561 6.0652 15.5219 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 6.54501 8.6355 10.1448 7.80532 7.41674 14.1488 5.71679 7.69991 8.73604 6.40575 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 6.49416 8.6355 5.41704 7.80532 9.87376 14.1488 5.71679 6.23142 8.73604 6.40575 numMergedOcc 0
27 mol 156 unq 0 iso 0 dist 8.34702 7.36119 11.787 7.30357 10.4977 11.9671 5.81563 13.0658 6.05323 8.21184 numMergedOcc 0
28 mol 156 unq 1 iso 0 dist 8.34702 7.36119 11.787 8.61587 12.4274 8.69711 5.81563 13.0658 6.05323 5.9976 numMergedOcc 0
29 mol 156 unq 2 iso 0 dist 7.44554 6.27641 7.29758 9.4013 5.71511 5.05683 5.4555 9.44367 5.81122 8.37434 numMergedOcc 0
30 mol 156 unq 3 iso 0 dist 8.94056 6.27641 8.67156 9.4013 6.13574 5.05683 5.4555 7.90267 5.81122 8.37434 numMergedOcc 0
31 mol 156 unq 4 iso 0 dist 9.83699 6.27641 4.53931 9.4013 5.80008 5.05683 5.4555 10.3379 5.81122 8.37434 numMergedOcc 0
32 mol 156 unq 5 iso 0 dist 9.06726 7.36119 7.71144 7.30357 12.3086 11.9671 5.81563 11.5017 6.05323 8.21184 numMergedOcc 0
33 mol 156 unq 6 iso 0 dist 9.06726 7.36119 7.71144 8.61587 10.9151 8.69711 5.81563 11.5017 6.05323 5.9976 numMergedOcc 0
34 mol 156 unq 7 iso 0 dist 8.33171 7.36119 9.22231 7.30357 7.79535 11.9671 5.81563 10.0063 6.05323 8.21184 numMergedOcc 0
35 mol 156 unq 8 iso 0 dist 8.33171 7.36119 9.22231 8.61587 6.98125 8.69711 5.81563 10.0063 6.05323 5.9976 numMergedOcc 0
36 mol 175 unq 0 iso 0 dist 9.29945 9.52634 9.11521 9.39352 7.27408 7.60254 6.77832 12.6314 8.99988 13.4698 numMergedOcc 0
37 mol 181 unq 0 iso 0 dist 9.1374 6.94688 6.25083 8.90963 8.91338 4.43678 6.6251 6.2479 9.06217 12.1629 numMergedOcc 0
38 mol 181 unq 1 iso 0 dist 9.1374 6.71012 4.77278 8.90963 8.91338 6.03415 6.6251 6.2479 7.13252 12.1629 numMergedOcc 0
39 mol 181 unq 2 iso 0 dist 5.98885 6.94688 5.86342 8.90963 9.81073 4.43678 6.6251 7.99195 9.06217 12.1629 numMergedOcc 0
40 mol 181 unq 3 iso 0 dist 5.98885 6.71012 9.14057 8.90963 9.81073 6.03415 6.6251 7.99195 7.13252 12.1629 numMergedOcc 0
41 mol 181 unq 4 iso 0 dist 5.98885 7.13543 10.0524 9.72611 5.6044 14.6648 5.77299 10.6908 6.32777 15.3124 numMergedOcc 0
42 mol 181 unq 5 iso 0 dist 5.98885 7.13543 10.0524 7.99195 6.6251 7.23063 5.77299 10.6908 6.32777 8.86197 numMergedOcc 0
43 mol 181 unq 6 iso 0 dist 9.09537 7.13543 5.95965 9.72611 12.9468 14.6648 5.77299 11.3325 6.32777 15.3124 numMergedOcc 0
44 mol 181 unq 7 iso 0 dist 9.09537 7.13543 5.95965 7.99195 10.09 7.23063 5.77299 11.3325 6.32777 8.86197 numMergedOcc 0
45 mol 181 unq 8 iso 0 dist 9.15386 6.94688 6.80228 8.90963 9.34211 4.43678 6.6251 12.8533 9.06217 12.1629 numMergedOcc 0
46 mol 181 unq 9 iso 0 dist 9.15386 6.71012 11.6919 8.90963 9.34211 6.03415 6.6251 12.8533 7.13252 12.1629 numMergedOcc 0
47 mol 181 unq 10 iso 0 dist 7.81386 4.93785 6.7991 9.39829 7.20191 7.30555 7.77758 5.94469 7.05653 11.8933 numMergedOcc 0
48 mol 181 unq 11 iso 0 dist 7.81386 7.98142 9.53462 5.94469 7.77758 8.93991 5.63555 10.4943 5.97685 10.3104 numMergedOcc 0
49 mol 181 unq 12 iso 0 dist 7.81386 7.37327 11.1462 5.94469 7.77758 5.35588 5.63555 10.4943 8.9289 10.3104 numMergedOcc 0
50 mol 181 unq 13 iso 0 dist 7.63312 7.98142 9.60512 5.94469 12.5387 8.93991 5.63555 5.9176 5.97685 10.3104 numMergedOcc 0
51 mol 181 unq 14 iso 0 dist 7.63312 7.37327 13.3389 5.94469 12.5387 5.35588 5.63555 5.9176 8.9289 10.3104 numMergedOcc 0
52 mol 235 unq 0 iso 0 dist 5.4638 9.58736 9.66021 9.55668 7.60081 13.128 15.6327 16.5425 7.31773 17.8712 numMergedOcc 0
53 mol 264 unq 0 iso 0 dist 9.361 9.0012 9.74238 7.16853 11.1431 9.76317 7.52936 13.2142 5.91213 10.3854 numMergedOcc 0
54 mol 264 unq 1 iso 0 dist 9.361 9.5784 9.85579 7.16853 11.1431 13.9064 7.52936 13.2142 7.34094 10.3854 numMergedOcc 0
55 mol 264 unq 2 iso 0 dist 6.24356 9.0012 5.12409 7.16853 5.00209 9.76317 7.52936 5.93616 5.91213 10.3854 numMergedOcc 0
56 mol 264 unq 3 iso 0 dist 6.24356 9.5784 9.67998 7.16853 5.00209 13.9064 7.52936 5.93616 7.34094 10.3854 numMergedOcc 0
