0 mol 9 unq 0 iso 0 dist 7.9944 6.55811 4.58685 7.36018 5.83039 5.43306 5.06358 7.032 8.64915 8.17347 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 7.9944 7.36018 5.83039 6.55811 4.58685 5.43306 5.06358 7.032 8.17347 8.64915 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 7.9944 6.55811 4.58685 8.48677 9.06304 6.17866 5.06358 7.032 8.64915 11.3467 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 7.9944 8.48677 9.06304 6.55811 4.58685 6.17866 5.06358 7.032 11.3467 8.64915 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 7.9944 7.36018 5.83039 8.48677 9.06304 4.41171 5.06358 7.032 8.17347 11.3467 numMergedOcc 0
5 mol 9 unq 1 iso 1 dist 7.9944 8.48677 9.06304 7.36018 5.83039 4.41171 5.06358 7.032 11.3467 8.17347 numMergedOcc 0
6 mol 9 unq 2 iso 0 dist 7.032 8.64915 4.58685 8.17347 5.83039 5.43306 5.06358 7.9944 6.55811 7.36018 numMergedOcc 0
7 mol 9 unq 2 iso 1 dist 7.032 8.17347 5.83039 8.64915 4.58685 5.43306 5.06358 7.9944 7.36018 6.55811 numMergedOcc 0
8 mol 9 unq 3 iso 0 dist 7.032 8.64915 4.58685 7.83133 9.193 11.3401 5.06358 7.9944 6.55811 10.2602 numMergedOcc 0
9 mol 9 unq 3 iso 1 dist 7.032 7.83133 9.193 8.64915 4.58685 11.3401 5.06358 7.9944 10.2602 6.55811 numMergedOcc 0
10 mol 9 unq 3 iso 0 dist 7.032 8.17347 5.83039 7.83133 9.193 6.8386 5.06358 7.9944 7.36018 10.2602 numMergedOcc 0
11 mol 9 unq 3 iso 1 dist 7.032 7.83133 9.193 8.17347 5.83039 6.8386 5.06358 7.9944 10.2602 7.36018 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 4.93188 8.70827 9.75636 6.73939 10.0715 15.0804 12.3067 9.24958 9.12854 18.673 numMergedOcc 0
13 mol 24 unq 0 iso 1 dist 4.93188 6.73939 10.0715 8.70827 9.75636 15.0804 12.3067 9.24958 18.673 9.12854 numMergedOcc 0
14 mol 25 unq 0 iso 0 dist 6.90155 6.16347 11.0508 7.92503 6.61233 12.7398 10.6808 5.81959 16.0183 8.6653 numMergedOcc 0
15 mol 25 unq 0 iso 1 dist 6.90155 7.92503 6.61233 6.16347 11.0508 12.7398 10.6808 5.81959 8.6653 16.0183 numMergedOcc 0
16 mol 65 unq 0 iso 0 dist 8.37515 6.76508 7.18126 8.22785 6.00418 5.56801 10.2941 5.69971 11.5413 7.90294 numMergedOcc 0
17 mol 65 unq 0 iso 1 dist 8.37515 8.22785 6.00418 6.76508 7.18126 5.56801 10.2941 5.69971 7.90294 11.5413 numMergedOcc 0
18 mol 65 unq 1 iso 0 dist 8.37515 6.76508 7.18126 8.22785 6.00418 5.56801 8.06868 9.83239 13.2643 13.1118 numMergedOcc 0
19 mol 65 unq 1 iso 1 dist 8.37515 8.22785 6.00418 6.76508 7.18126 5.56801 8.06868 9.83239 13.1118 13.2643 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 8.56342 6.52773 6.96805 9.23858 13.3975 12.3703 4.85907 7.99857 9.11344 12.7677 numMergedOcc 0
21 mol 119 unq 0 iso 1 dist 8.56342 9.23858 13.3975 6.52773 6.96805 12.3703 4.85907 7.99857 12.7677 9.11344 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 9.25558 11.2516 14.5627 13.2572 9.15431 15.7676 18.3571 numMergedOcc 0
23 mol 131 unq 0 iso 1 dist 9.29384 9.25558 11.2516 8.70296 10.8127 14.5627 13.2572 9.15431 18.3571 15.7676 numMergedOcc 0
24 mol 131 unq 1 iso 0 dist 9.29384 8.70296 10.8127 9.25558 11.2516 14.5627 6.63273 6.92648 12.6227 11.586 numMergedOcc 0
25 mol 131 unq 1 iso 1 dist 9.29384 9.25558 11.2516 8.70296 10.8127 14.5627 6.63273 6.92648 11.586 12.6227 numMergedOcc 0
26 mol 148 unq 0 iso 0 dist 9.74542 9.91993 7.23332 6.22055 7.89336 4.32771 6.83844 9.02318 13.4961 10.8708 numMergedOcc 0
27 mol 148 unq 0 iso 1 dist 9.74542 6.22055 7.89336 9.91993 7.23332 4.32771 6.83844 9.02318 10.8708 13.4961 numMergedOcc 0
28 mol 148 unq 1 iso 0 dist 9.74542 9.91993 7.23332 6.22055 7.89336 4.32771 8.72919 7.97543 12.1227 11.2961 numMergedOcc 0
29 mol 148 unq 1 iso 1 dist 9.74542 6.22055 7.89336 9.91993 7.23332 4.32771 8.72919 7.97543 11.2961 12.1227 numMergedOcc 0
30 mol 150 unq 0 iso 0 dist 9.6606 9.96691 7.35366 6.14675 7.86976 4.39943 8.77324 7.85526 12.1516 11.2313 numMergedOcc 0
31 mol 150 unq 0 iso 1 dist 9.6606 6.14675 7.86976 9.96691 7.35366 4.39943 8.77324 7.85526 11.2313 12.1516 numMergedOcc 0
32 mol 150 unq 1 iso 0 dist 9.6606 9.96691 7.35366 6.14675 7.86976 4.39943 6.98865 8.94552 13.6809 10.9703 numMergedOcc 0
33 mol 150 unq 1 iso 1 dist 9.6606 6.14675 7.86976 9.96691 7.35366 4.39943 6.98865 8.94552 10.9703 13.6809 numMergedOcc 0
34 mol 150 unq 2 iso 0 dist 9.6606 9.96691 7.35366 9.24244 11.8012 5.93611 8.77324 7.85526 12.1516 15.2191 numMergedOcc 0
35 mol 150 unq 2 iso 1 dist 9.6606 9.24244 11.8012 9.96691 7.35366 5.93611 8.77324 7.85526 15.2191 12.1516 numMergedOcc 0
36 mol 150 unq 3 iso 0 dist 9.6606 9.96691 7.35366 9.24244 11.8012 5.93611 6.98865 8.94552 13.6809 14.9682 numMergedOcc 0
37 mol 150 unq 3 iso 1 dist 9.6606 9.24244 11.8012 9.96691 7.35366 5.93611 6.98865 8.94552 14.9682 13.6809 numMergedOcc 0
38 mol 150 unq 2 iso 0 dist 9.6606 6.14675 7.86976 9.24244 11.8012 4.30207 8.77324 7.85526 11.2313 15.2191 numMergedOcc 0
39 mol 150 unq 2 iso 1 dist 9.6606 9.24244 11.8012 6.14675 7.86976 4.30207 8.77324 7.85526 15.2191 11.2313 numMergedOcc 0
40 mol 150 unq 3 iso 0 dist 9.6606 6.14675 7.86976 9.24244 11.8012 4.30207 6.98865 8.94552 10.9703 14.9682 numMergedOcc 0
41 mol 150 unq 3 iso 1 dist 9.6606 9.24244 11.8012 6.14675 7.86976 4.30207 6.98865 8.94552 14.9682 10.9703 numMergedOcc 0
42 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 8.1344 5.90358 3.98338 7.31409 5.10618 8.24693 6.71356 numMergedOcc 0
43 mol 171 unq 0 iso 1 dist 7.71426 8.1344 5.90358 5.93786 6.29877 3.98338 7.31409 5.10618 6.71356 8.24693 numMergedOcc 0
44 mol 171 unq 1 iso 0 dist 7.71426 5.93786 6.29877 8.1344 5.90358 3.98338 13.6814 9.86681 13.8551 15.2816 numMergedOcc 0
45 mol 171 unq 1 iso 1 dist 7.71426 8.1344 5.90358 5.93786 6.29877 3.98338 13.6814 9.86681 15.2816 13.8551 numMergedOcc 0
46 mol 171 unq 2 iso 0 dist 5.10618 8.24693 6.29877 6.71356 5.90358 3.98338 7.31409 7.71426 5.93786 8.1344 numMergedOcc 0
47 mol 171 unq 2 iso 1 dist 5.10618 6.71356 5.90358 8.24693 6.29877 3.98338 7.31409 7.71426 8.1344 5.93786 numMergedOcc 0
48 mol 171 unq 3 iso 0 dist 5.10618 8.24693 6.29877 6.71356 5.90358 3.98338 13.7214 9.86681 13.8551 15.2816 numMergedOcc 0
49 mol 171 unq 3 iso 1 dist 5.10618 6.71356 5.90358 8.24693 6.29877 3.98338 13.7214 9.86681 15.2816 13.8551 numMergedOcc 0
50 mol 194 unq 0 iso 0 dist 8.83356 8.29382 12.361 6.72379 7.50057 6.7294 14.6506 6.26839 16.3687 12.4952 numMergedOcc 0
51 mol 194 unq 0 iso 1 dist 8.83356 6.72379 7.50057 8.29382 12.361 6.7294 14.6506 6.26839 12.4952 16.3687 numMergedOcc 0
52 mol 194 unq 1 iso 0 dist 8.83356 8.29382 12.361 6.72379 7.50057 6.7294 13.5632 8.12346 18.4977 15.1649 numMergedOcc 0
53 mol 194 unq 1 iso 1 dist 8.83356 6.72379 7.50057 8.29382 12.361 6.7294 13.5632 8.12346 15.1649 18.4977 numMergedOcc 0
54 mol 194 unq 2 iso 0 dist 8.83356 8.29382 12.361 6.72379 7.50057 6.7294 11.6097 8.2654 14.3769 13.2138 numMergedOcc 0
55 mol 194 unq 2 iso 1 dist 8.83356 6.72379 7.50057 8.29382 12.361 6.7294 11.6097 8.2654 13.2138 14.3769 numMergedOcc 0
56 mol 195 unq 0 iso 0 dist 6.60567 7.36683 6.0634 6.95086 6.74112 9.90317 10.7531 7.62942 9.26504 14.0524 numMergedOcc 0
57 mol 195 unq 0 iso 1 dist 6.60567 6.95086 6.74112 7.36683 6.0634 9.90317 10.7531 7.62942 14.0524 9.26504 numMergedOcc 0
58 mol 212 unq 0 iso 0 dist 6.29767 9.74144 9.75095 8.69988 12.8059 12.5482 4.12932 8.57827 12.6219 11.8495 numMergedOcc 0
59 mol 212 unq 0 iso 1 dist 6.29767 8.69988 12.8059 9.74144 9.75095 12.5482 4.12932 8.57827 11.8495 12.6219 numMergedOcc 0
60 mol 212 unq 1 iso 0 dist 6.29767 9.74144 9.75095 8.55903 10.7914 15.0034 4.12932 8.57827 12.6219 11.3832 numMergedOcc 0
61 mol 212 unq 1 iso 1 dist 6.29767 8.55903 10.7914 9.74144 9.75095 15.0034 4.12932 8.57827 11.3832 12.6219 numMergedOcc 0
62 mol 212 unq 2 iso 0 dist 6.29767 9.74144 9.75095 7.15603 9.63281 5.24023 4.12932 8.57827 12.6219 10.7294 numMergedOcc 0
63 mol 212 unq 2 iso 1 dist 6.29767 7.15603 9.63281 9.74144 9.75095 5.24023 4.12932 8.57827 10.7294 12.6219 numMergedOcc 0
64 mol 212 unq 1 iso 0 dist 6.29767 8.69988 12.8059 8.55903 10.7914 6.18191 4.12932 8.57827 11.8495 11.3832 numMergedOcc 0
65 mol 212 unq 1 iso 1 dist 6.29767 8.55903 10.7914 8.69988 12.8059 6.18191 4.12932 8.57827 11.3832 11.8495 numMergedOcc 0
66 mol 212 unq 2 iso 0 dist 6.29767 8.69988 12.8059 7.15603 9.63281 7.34372 4.12932 8.57827 11.8495 10.7294 numMergedOcc 0
67 mol 212 unq 2 iso 1 dist 6.29767 7.15603 9.63281 8.69988 12.8059 7.34372 4.12932 8.57827 10.7294 11.8495 numMergedOcc 0
68 mol 212 unq 2 iso 0 dist 6.29767 8.55903 10.7914 7.15603 9.63281 10.7093 4.12932 8.57827 11.3832 10.7294 numMergedOcc 0
69 mol 212 unq 2 iso 1 dist 6.29767 7.15603 9.63281 8.55903 10.7914 10.7093 4.12932 8.57827 10.7294 11.3832 numMergedOcc 0
70 mol 238 unq 0 iso 0 dist 6.66971 7.57812 4.77308 8.69104 10.2777 6.25098 5.40359 6.4398 10.1217 13.492 numMergedOcc 0
71 mol 238 unq 0 iso 1 dist 6.66971 8.69104 10.2777 7.57812 4.77308 6.25098 5.40359 6.4398 13.492 10.1217 numMergedOcc 0
72 mol 238 unq 1 iso 0 dist 6.66971 7.57812 4.77308 8.69104 10.2777 6.25098 10.0191 7.32982 9.24557 12.9364 numMergedOcc 0
73 mol 238 unq 1 iso 1 dist 6.66971 8.69104 10.2777 7.57812 4.77308 6.25098 10.0191 7.32982 12.9364 9.24557 numMergedOcc 0
