0 mol 8 unq 0 iso 0 dist 7.46102 9.91301 8.4069 8.25051 8.96553 9.62879 13.8883 12.536 9.01112 7.12261 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.40051 8.6396 10.9391 13.466 7.57578 12.7009 5.23233 11.037 6.55597 13.2447 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.40051 8.6396 10.9391 13.466 7.57578 12.7009 13.5673 14.581 9.71956 11.3512 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 8.40051 8.6396 10.9391 13.466 7.57578 12.7009 10.4709 13.0315 7.07751 11.8139 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 8.40051 8.6396 10.9391 13.466 7.57578 12.7009 12.2787 17.2964 8.23761 17.5134 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 8.40051 8.6396 10.9391 13.466 7.57578 12.7009 13.591 9.48085 9.49421 5.18617 numMergedOcc 0
6 mol 25 unq 5 iso 0 dist 8.40051 8.6396 10.9391 13.466 7.57578 12.7009 10.0172 16.4232 7.52933 18.6183 numMergedOcc 0
7 mol 25 unq 6 iso 0 dist 8.40051 8.6396 10.9391 14.4191 7.17969 12.8117 5.23233 11.037 6.55597 14.9982 numMergedOcc 0
8 mol 25 unq 7 iso 0 dist 8.40051 8.6396 10.9391 14.4191 7.17969 12.8117 13.5673 14.581 9.71956 14.0853 numMergedOcc 0
9 mol 25 unq 8 iso 0 dist 8.40051 8.6396 10.9391 14.4191 7.17969 12.8117 10.4709 13.0315 7.07751 14.1251 numMergedOcc 0
10 mol 25 unq 9 iso 0 dist 8.40051 8.6396 10.9391 14.4191 7.17969 12.8117 12.2787 17.2964 8.23761 19.2117 numMergedOcc 0
11 mol 25 unq 10 iso 0 dist 8.40051 8.6396 10.9391 14.4191 7.17969 12.8117 13.591 9.48085 9.49421 5.68041 numMergedOcc 0
12 mol 25 unq 11 iso 0 dist 8.40051 8.6396 10.9391 14.4191 7.17969 12.8117 10.0172 16.4232 7.52933 19.7151 numMergedOcc 0
13 mol 25 unq 12 iso 0 dist 8.6396 8.40051 10.9391 5.8503 5.04899 11.9561 6.29702 12.3944 4.79873 11.6045 numMergedOcc 0
14 mol 25 unq 13 iso 0 dist 8.6396 8.40051 10.9391 5.8503 5.04899 11.9561 13.591 9.49421 9.48085 13.6145 numMergedOcc 0
15 mol 25 unq 14 iso 0 dist 8.88413 7.63928 10.2779 5.59268 7.17969 11.6743 4.88495 13.3069 7.99919 10.2738 numMergedOcc 0
16 mol 25 unq 15 iso 0 dist 9.87281 7.63928 4.51512 6.17631 7.31767 6.03987 4.88495 11.0249 7.99919 4.77954 numMergedOcc 0
17 mol 58 unq 0 iso 0 dist 6.36193 4.88613 4.81926 5.40367 6.62496 6.35756 4.99692 9.22598 8.96727 9.87158 numMergedOcc 0
18 mol 58 unq 1 iso 0 dist 6.36193 4.88613 4.81926 5.40367 6.62496 6.35756 3.70586 9.55996 8.01308 5.86526 numMergedOcc 0
19 mol 58 unq 2 iso 0 dist 4.88613 6.36193 4.81926 5.40367 6.35756 6.62496 4.99692 8.96727 9.22598 9.87158 numMergedOcc 0
20 mol 88 unq 0 iso 0 dist 7.86537 7.74197 5.57085 4.0486 8.31336 9.36773 11.151 12.785 7.80898 12.1193 numMergedOcc 0
21 mol 112 unq 0 iso 0 dist 7.15985 7.53905 10.838 6.68714 9.60462 11.438 3.61827 10.2348 9.05166 5.43385 numMergedOcc 0
22 mol 112 unq 1 iso 0 dist 7.15985 7.53905 10.838 6.68714 9.60462 11.438 3.78964 9.95699 5.56994 9.5471 numMergedOcc 0
23 mol 112 unq 2 iso 0 dist 7.15985 7.53905 10.838 6.71889 7.45389 13.9719 3.61827 10.2348 9.05166 7.54657 numMergedOcc 0
24 mol 112 unq 3 iso 0 dist 7.15985 7.53905 10.838 6.71889 7.45389 13.9719 3.78964 9.95699 5.56994 10.3145 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 6.18763 8.44385 10.9871 5.3154 6.18601 10.1813 5.92411 8.95212 6.99446 4.39676 numMergedOcc 0
26 mol 119 unq 1 iso 0 dist 6.18763 5.63005 9.93257 5.3154 6.18601 9.72413 5.92411 8.95212 7.64052 4.39676 numMergedOcc 0
27 mol 119 unq 2 iso 0 dist 8.44385 6.18763 10.9871 12.1192 9.87172 13.9919 5.92411 6.99446 8.95212 6.20019 numMergedOcc 0
28 mol 119 unq 3 iso 0 dist 8.44385 5.63005 4.85907 12.1192 9.87172 12.6489 5.92411 6.99446 7.64052 6.20019 numMergedOcc 0
29 mol 119 unq 4 iso 0 dist 5.63005 6.18763 9.93257 10.5268 8.73993 16.4353 5.92411 7.64052 8.95212 9.68677 numMergedOcc 0
30 mol 119 unq 5 iso 0 dist 5.63005 8.44385 4.85907 10.5268 8.73993 10.3704 5.92411 7.64052 6.99446 9.68677 numMergedOcc 0
31 mol 133 unq 0 iso 0 dist 9.50322 5.82404 8.18495 5.37072 7.11802 8.00618 11.5628 12.5855 8.77023 15.0115 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 9.92932 9.60411 5.49782 10.5108 8.94367 6.37586 11.6349 13.9752 9.33924 6.95573 numMergedOcc 0
33 mol 134 unq 1 iso 0 dist 9.92932 9.60411 5.49782 10.5108 8.94367 6.37586 3.76211 7.21868 7.93372 8.06642 numMergedOcc 0
34 mol 134 unq 2 iso 0 dist 9.92932 9.60411 5.49782 6.20443 9.86662 9.71307 11.6349 13.9752 9.33924 10.2026 numMergedOcc 0
35 mol 134 unq 3 iso 0 dist 9.92932 9.60411 5.49782 6.20443 9.86662 9.71307 3.76211 7.21868 7.93372 4.00092 numMergedOcc 0
36 mol 134 unq 4 iso 0 dist 9.60411 9.92932 5.49782 10.5108 6.37586 8.94367 3.76211 7.93372 7.21868 8.06642 numMergedOcc 0
37 mol 134 unq 5 iso 0 dist 9.60411 9.92932 5.49782 6.20443 9.71307 9.86662 3.76211 7.93372 7.21868 4.00092 numMergedOcc 0
38 mol 134 unq 6 iso 0 dist 9.55556 9.60369 5.62899 11.9294 8.94367 11.7385 4.63732 7.21868 9.66543 8.06642 numMergedOcc 0
39 mol 134 unq 7 iso 0 dist 9.55556 9.60369 5.62899 6.36794 9.86662 11.3835 4.63732 7.21868 9.66543 4.00092 numMergedOcc 0
40 mol 205 unq 0 iso 0 dist 5.4913 8.10287 9.33648 6.8901 7.45763 13.4269 3.50446 8.95122 8.4844 8.97813 numMergedOcc 0
41 mol 229 unq 0 iso 0 dist 8.6537 8.75374 5.1556 8.65216 8.22528 11.3979 3.72432 7.27993 9.51168 5.70473 numMergedOcc 0
42 mol 229 unq 1 iso 0 dist 8.6537 8.75374 5.1556 10.7439 7.03423 11.9282 3.72432 7.27993 9.51168 7.22525 numMergedOcc 0
43 mol 229 unq 2 iso 0 dist 8.6537 5.57702 7.0298 8.65216 8.22528 11.7165 3.72432 7.27993 6.95201 5.70473 numMergedOcc 0
44 mol 229 unq 3 iso 0 dist 8.6537 5.57702 7.0298 10.7439 7.03423 11.4362 3.72432 7.27993 6.95201 7.22525 numMergedOcc 0
45 mol 229 unq 4 iso 0 dist 5.57702 8.6537 7.0298 6.21233 9.87838 11.6115 3.72432 6.95201 7.27993 4.61227 numMergedOcc 0
46 mol 229 unq 5 iso 0 dist 5.57702 8.75374 6.54885 6.21233 9.87838 13.9028 3.72432 6.95201 9.51168 4.61227 numMergedOcc 0
