0 mol 64 unq 0 iso 0 dist 6.08228 5.66803 5.88036 12.1186 9.86958 8.85416 10.0913 12.174 7.77991 8.21081 numMergedOcc 0
1 mol 64 unq 1 iso 0 dist 6.08228 5.66803 5.88036 12.1186 9.86958 8.85416 5.68492 9.82635 5.1488 11.6323 numMergedOcc 0
2 mol 64 unq 2 iso 0 dist 9.86958 8.85416 5.88036 12.1186 6.08228 5.66803 8.21081 12.174 7.77991 10.0913 numMergedOcc 0
3 mol 64 unq 3 iso 0 dist 9.86958 8.85416 5.88036 12.1186 6.08228 5.66803 11.6323 9.82635 5.1488 5.68492 numMergedOcc 0
4 mol 64 unq 4 iso 0 dist 7.8986 8.52643 7.05519 5.76037 7.24183 5.41357 11.5903 9.14856 7.7933 6.10515 numMergedOcc 0
5 mol 64 unq 5 iso 0 dist 7.24183 5.41357 7.05519 5.76037 7.8986 8.52643 6.10515 9.14856 7.7933 11.5903 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 7.41952 8.64686 9.57704 12.6473 16.352 8.61089 13.7118 17.0146 8.17967 9.41403 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 7.41952 8.64686 9.57704 12.6473 16.352 8.61089 15.6024 15.8071 9.74201 7.71809 numMergedOcc 0
8 mol 87 unq 0 iso 0 dist 9.10245 9.90256 5.83874 6.69898 10.4317 7.57471 7.62644 12.6881 9.53368 5.5768 numMergedOcc 0
9 mol 87 unq 1 iso 0 dist 9.10245 9.90256 5.83874 6.69898 10.4317 7.57471 10.8096 11.2241 6.54532 4.56692 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 9.6874 6.54778 4.84565 8.36743 11.9317 8.57909 5.84883 10.8293 6.06039 6.14032 numMergedOcc 0
11 mol 114 unq 1 iso 0 dist 9.6874 6.54778 4.84565 8.36743 11.9317 8.57909 10.9953 13.5042 9.36502 5.47189 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 9.07294 5.79195 5.35551 12.1681 7.50126 9.2759 7.50288 10.4324 8.03691 8.01541 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 9.07294 5.79195 5.35551 9.34083 12.8985 8.76088 7.50288 10.4324 8.03691 5.31306 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 5.12189 9.2759 10.8516 12.1681 14.2037 5.79195 8.01541 8.49888 8.03691 7.50288 numMergedOcc 0
15 mol 133 unq 3 iso 0 dist 5.12189 9.2759 10.8516 11.2107 9.428 8.76088 8.01541 8.49888 8.03691 5.31306 numMergedOcc 0
16 mol 133 unq 4 iso 0 dist 7.50126 9.2759 5.35551 12.1681 9.07294 5.79195 8.01541 10.4324 8.03691 7.50288 numMergedOcc 0
17 mol 133 unq 5 iso 0 dist 7.50126 9.2759 5.35551 11.2107 12.8985 8.76088 8.01541 10.4324 8.03691 5.31306 numMergedOcc 0
18 mol 148 unq 0 iso 0 dist 9.71692 9.18753 11.8278 10.8037 16.0883 8.6953 6.16168 11.144 9.21934 6.43817 numMergedOcc 0
19 mol 150 unq 0 iso 0 dist 9.73708 9.15244 11.6537 10.8647 16.0617 8.65967 6.14967 11.1402 9.13113 6.48058 numMergedOcc 0
20 mol 165 unq 0 iso 0 dist 8.2197 7.21397 10.5947 11.6064 18.2835 9.8755 9.55225 10.0594 8.45742 11.9518 numMergedOcc 0
21 mol 165 unq 1 iso 0 dist 8.2197 7.21397 10.5947 8.33453 12.18 8.46714 9.55225 10.0594 8.45742 4.37998 numMergedOcc 0
22 mol 224 unq 0 iso 0 dist 7.58998 6.23677 6.88745 5.49559 11.537 9.04741 4.10214 4.64336 7.49889 8.4959 numMergedOcc 0
23 mol 224 unq 1 iso 0 dist 7.58998 6.23677 6.88745 5.49559 11.537 9.04741 6.78713 12.5784 9.89345 10.2748 numMergedOcc 0
24 mol 224 unq 2 iso 0 dist 7.58998 6.23677 6.88745 5.92863 12.3857 7.31608 4.10214 4.64336 7.49889 9.93861 numMergedOcc 0
25 mol 224 unq 3 iso 0 dist 7.58998 6.23677 6.88745 5.92863 12.3857 7.31608 6.78713 12.5784 9.89345 7.09867 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 9.63694 6.57444 13.1376 13.1611 21.9878 9.39714 5.53503 14.7501 9.35019 11.3259 numMergedOcc 0
27 mol 266 unq 1 iso 0 dist 6.58277 6.57444 5.91091 13.1611 8.12204 9.39714 5.53503 6.36049 9.35019 11.3259 numMergedOcc 0
28 mol 266 unq 2 iso 0 dist 8.12204 9.39714 5.91091 13.1611 6.58277 6.57444 11.3259 6.36049 9.35019 5.53503 numMergedOcc 0
29 mol 282 unq 0 iso 0 dist 8.61456 9.98886 4.68809 5.92133 8.41041 6.81887 10.1569 9.79549 5.98155 4.54514 numMergedOcc 0
30 mol 282 unq 1 iso 0 dist 8.41041 6.81887 4.68809 5.92133 8.61456 9.98886 4.54514 9.79549 5.98155 10.1569 numMergedOcc 0
