0 mol 7 unq 0 iso 0 dist 5.72491 8.72114 10.1959 11.8172 14.9635 6.02702 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.88043 5.99972 7.25346 5.13353 12.8015 9.68006 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.80762 5.99972 10.0658 5.13353 12.5387 9.68006 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 7.92414 7.03958 8.07902 12.4076 16.4393 8.53529 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 7.92414 7.03958 8.07902 10.9495 13.6835 7.18019 numMergedOcc 0
5 mol 8 unq 2 iso 0 dist 7.92414 7.03958 8.07902 8.09332 11.2464 8.44009 numMergedOcc 0
6 mol 8 unq 3 iso 0 dist 6.82379 7.03958 5.65816 12.4076 7.3915 8.53529 numMergedOcc 0
7 mol 8 unq 4 iso 0 dist 6.82379 7.03958 5.65816 10.9495 10.6335 7.18019 numMergedOcc 0
8 mol 8 unq 5 iso 0 dist 6.82379 7.03958 5.65816 8.09332 11.7258 8.44009 numMergedOcc 0
9 mol 8 unq 6 iso 0 dist 7.3915 8.53529 5.65816 12.4076 6.82379 7.03958 numMergedOcc 0
10 mol 8 unq 7 iso 0 dist 7.3915 8.53529 5.65816 8.4069 10.6335 7.18019 numMergedOcc 0
11 mol 8 unq 8 iso 0 dist 7.3915 8.53529 5.65816 12.9016 11.7258 8.44009 numMergedOcc 0
12 mol 9 unq 0 iso 0 dist 7.05346 7.32257 8.88528 6.14147 10.5699 6.55811 numMergedOcc 0
13 mol 9 unq 1 iso 0 dist 7.05346 7.32257 8.88528 10.5747 12.6235 8.64915 numMergedOcc 0
14 mol 9 unq 2 iso 0 dist 7.9944 6.55811 4.58685 6.14147 10.8213 7.32257 numMergedOcc 0
15 mol 9 unq 3 iso 0 dist 7.9944 6.55811 4.58685 5.06358 7.032 8.64915 numMergedOcc 0
16 mol 9 unq 4 iso 0 dist 7.9944 7.36018 5.83039 5.06358 7.032 8.17347 numMergedOcc 0
17 mol 9 unq 5 iso 0 dist 7.032 8.64915 4.58685 10.5747 10.8213 7.32257 numMergedOcc 0
18 mol 9 unq 6 iso 0 dist 7.032 8.64915 4.58685 5.06358 7.9944 6.55811 numMergedOcc 0
19 mol 9 unq 7 iso 0 dist 7.032 8.17347 5.83039 5.06358 7.9944 7.36018 numMergedOcc 0
20 mol 19 unq 0 iso 0 dist 6.92532 7.75618 13.9675 7.67038 10.1882 8.40416 numMergedOcc 0
21 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 11.4989 14.156 6.73939 numMergedOcc 0
22 mol 24 unq 1 iso 0 dist 6.72502 8.60554 6.99746 14.6259 11.2485 8.4051 numMergedOcc 0
23 mol 24 unq 2 iso 0 dist 6.72502 8.60554 6.99746 10.0952 10.7114 7.29868 numMergedOcc 0
24 mol 24 unq 3 iso 0 dist 6.72502 9.44691 7.05541 14.6259 11.2485 8.75662 numMergedOcc 0
25 mol 24 unq 4 iso 0 dist 4.93188 8.70827 9.75636 12.3067 9.24958 9.12854 numMergedOcc 0
26 mol 24 unq 5 iso 0 dist 4.93188 6.73939 10.0715 11.4989 13.0257 9.41441 numMergedOcc 0
27 mol 24 unq 6 iso 0 dist 9.24958 9.12854 9.75636 12.3067 4.93188 8.70827 numMergedOcc 0
28 mol 25 unq 0 iso 0 dist 5.81959 8.6653 6.61233 10.6808 6.90155 7.92503 numMergedOcc 0
29 mol 25 unq 1 iso 0 dist 6.90155 6.16347 11.0508 10.9391 17.3821 7.45383 numMergedOcc 0
30 mol 25 unq 2 iso 0 dist 6.90155 7.92503 6.61233 10.6808 5.81959 8.6653 numMergedOcc 0
31 mol 25 unq 3 iso 0 dist 6.6492 7.45383 11.7817 10.9391 16.357 6.16347 numMergedOcc 0
32 mol 26 unq 0 iso 0 dist 8.6385 7.36856 5.30297 7.96502 10.4035 6.46104 numMergedOcc 0
33 mol 65 unq 0 iso 0 dist 9.14931 6.72639 9.35965 5.48814 13.4288 6.76508 numMergedOcc 0
34 mol 65 unq 1 iso 0 dist 9.14931 9.34791 10.7772 14.4691 18.5415 7.90294 numMergedOcc 0
35 mol 65 unq 2 iso 0 dist 9.14931 9.34791 10.7772 5.48814 13.4288 8.22785 numMergedOcc 0
36 mol 65 unq 3 iso 0 dist 5.69971 7.90294 6.00418 14.4691 12.0267 9.34791 numMergedOcc 0
37 mol 65 unq 4 iso 0 dist 5.69971 7.90294 6.00418 10.2941 8.37515 8.22785 numMergedOcc 0
38 mol 65 unq 5 iso 0 dist 8.37515 6.76508 7.18126 5.48814 12.0267 6.72639 numMergedOcc 0
39 mol 65 unq 6 iso 0 dist 8.37515 8.22785 6.00418 10.2941 5.69971 7.90294 numMergedOcc 0
40 mol 65 unq 7 iso 0 dist 8.37515 8.22785 6.00418 5.48814 12.0267 9.34791 numMergedOcc 0
41 mol 85 unq 0 iso 0 dist 7.33422 7.54568 6.85215 10.1164 14.9249 9.39864 numMergedOcc 0
42 mol 98 unq 0 iso 0 dist 5.88354 5.59328 8.53212 10.6225 14.2622 5.78706 numMergedOcc 0
43 mol 98 unq 1 iso 0 dist 5.88354 5.59328 8.53212 11.4338 13.6237 7.23884 numMergedOcc 0
44 mol 98 unq 2 iso 0 dist 5.88354 5.59328 8.53212 7.72877 5.74854 7.5242 numMergedOcc 0
45 mol 98 unq 3 iso 0 dist 5.74854 7.5242 8.53212 12.7411 14.2622 5.78706 numMergedOcc 0
46 mol 98 unq 4 iso 0 dist 5.74854 7.5242 8.53212 9.30161 13.6237 7.23884 numMergedOcc 0
47 mol 98 unq 5 iso 0 dist 5.74854 7.5242 8.53212 7.72877 5.88354 5.59328 numMergedOcc 0
48 mol 119 unq 0 iso 0 dist 7.99857 9.11344 6.96805 4.85907 8.56342 6.52773 numMergedOcc 0
49 mol 119 unq 1 iso 0 dist 8.56342 6.52773 6.96805 4.85907 7.99857 9.11344 numMergedOcc 0
50 mol 119 unq 2 iso 0 dist 6.37542 6.52773 4.86811 4.85907 10.4631 9.11344 numMergedOcc 0
51 mol 133 unq 0 iso 0 dist 6.76699 6.16242 9.34112 7.81217 11.1595 5.87634 numMergedOcc 0
52 mol 134 unq 0 iso 0 dist 5.53031 7.80532 8.98004 5.79898 10.0513 5.83771 numMergedOcc 0
53 mol 141 unq 0 iso 0 dist 7.86572 9.97343 5.38571 11.4307 10.271 9.70413 numMergedOcc 0
54 mol 148 unq 0 iso 0 dist 9.74542 9.91993 7.23332 5.99954 11.214 9.99156 numMergedOcc 0
55 mol 148 unq 1 iso 0 dist 9.74542 6.22055 7.89336 5.99954 11.214 8.18085 numMergedOcc 0
56 mol 150 unq 0 iso 0 dist 9.6606 9.96691 7.35366 5.93095 11.0682 9.8656 numMergedOcc 0
57 mol 150 unq 1 iso 0 dist 9.6606 6.14675 7.86976 5.93095 11.0682 7.94889 numMergedOcc 0
58 mol 170 unq 0 iso 0 dist 8.15099 6.35982 7.29587 6.52462 9.05166 9.10511 numMergedOcc 0
59 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 4.91149 11.3367 6.64834 numMergedOcc 0
60 mol 171 unq 1 iso 0 dist 7.71426 5.93786 6.29877 7.31409 5.10618 8.24693 numMergedOcc 0
61 mol 171 unq 2 iso 0 dist 7.71426 5.93786 6.29877 8.07119 11.661 7.36698 numMergedOcc 0
62 mol 171 unq 3 iso 0 dist 7.71426 8.1344 5.90358 7.31409 5.10618 6.71356 numMergedOcc 0
63 mol 171 unq 4 iso 0 dist 5.10618 8.24693 6.29877 11.6409 11.3367 6.64834 numMergedOcc 0
64 mol 171 unq 5 iso 0 dist 5.10618 8.24693 6.29877 7.31409 7.71426 5.93786 numMergedOcc 0
65 mol 171 unq 6 iso 0 dist 5.10618 8.24693 6.29877 14.1033 11.661 7.36698 numMergedOcc 0
66 mol 171 unq 7 iso 0 dist 5.10618 6.71356 5.90358 7.31409 7.71426 8.1344 numMergedOcc 0
67 mol 186 unq 0 iso 0 dist 6.72641 7.76163 6.71237 14.5862 14.713 8.73217 numMergedOcc 0
68 mol 186 unq 1 iso 0 dist 7.20574 8.73217 11.8992 14.5862 19.2622 7.76163 numMergedOcc 0
69 mol 195 unq 0 iso 0 dist 6.60567 7.36683 6.0634 10.7531 7.62942 9.26504 numMergedOcc 0
70 mol 195 unq 1 iso 0 dist 7.62942 9.26504 6.0634 10.7531 6.60567 7.36683 numMergedOcc 0
71 mol 206 unq 0 iso 0 dist 8.70977 7.75885 10.7023 5.63422 12.3357 6.16414 numMergedOcc 0
72 mol 227 unq 0 iso 0 dist 8.03442 7.43071 12.8075 4.39704 12.2278 6.02296 numMergedOcc 0
73 mol 235 unq 0 iso 0 dist 6.39158 6.36341 7.85398 8.31875 11.0084 6.21292 numMergedOcc 0
74 mol 235 unq 1 iso 0 dist 6.39158 6.36341 7.85398 10.5547 11.2916 9.21736 numMergedOcc 0
75 mol 237 unq 0 iso 0 dist 6.50471 9.60163 6.12402 14.5975 10.065 6.99315 numMergedOcc 0
76 mol 238 unq 0 iso 0 dist 6.66971 7.57812 4.77308 10.0191 7.32982 9.24557 numMergedOcc 0
77 mol 238 unq 1 iso 0 dist 7.32982 9.24557 4.77308 10.0191 6.66971 7.57812 numMergedOcc 0
78 mol 258 unq 0 iso 0 dist 9.1925 9.63959 4.22544 12.4198 11.3842 9.96262 numMergedOcc 0
79 mol 258 unq 1 iso 0 dist 9.1925 9.63959 4.22544 12.321 11.3331 7.21311 numMergedOcc 0
80 mol 258 unq 2 iso 0 dist 6.70815 7.21311 8.10604 12.321 16.6122 9.63959 numMergedOcc 0
81 mol 258 unq 3 iso 0 dist 6.70815 7.21311 8.10604 10.7374 14.5215 9.96262 numMergedOcc 0
82 mol 259 unq 0 iso 0 dist 8.55558 7.08526 6.31909 6.96053 10.5803 7.98231 numMergedOcc 0
83 mol 278 unq 0 iso 0 dist 7.67245 6.62841 13.537 8.29447 12.4198 8.00673 numMergedOcc 0
