0 mol 62 unq 0 iso 0 dist 8.67162 8.79114 4.0144 6.35779 4.32751 4.83294 numMergedOcc 0
1 mol 62 unq 0 iso 1 dist 8.79114 8.67162 4.0144 6.35779 4.83294 4.32751 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 8.17655 6.47416 6.70789 9.00872 9.83579 5.29018 numMergedOcc 0
3 mol 79 unq 0 iso 1 dist 6.47416 8.17655 6.70789 9.00872 5.29018 9.83579 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 8.17655 8.0255 7.15067 9.00872 9.83579 3.94064 numMergedOcc 0
5 mol 79 unq 1 iso 1 dist 8.0255 8.17655 7.15067 9.00872 3.94064 9.83579 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 6.47416 8.0255 5.79604 9.00872 5.29018 3.94064 numMergedOcc 0
7 mol 79 unq 1 iso 1 dist 8.0255 6.47416 5.79604 9.00872 3.94064 5.29018 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 5.93987 7.7913 9.38827 5.04673 4.30488 5.09449 numMergedOcc 0
9 mol 92 unq 0 iso 1 dist 7.7913 5.93987 9.38827 5.04673 5.09449 4.30488 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 5.62309 7.11438 6.2185 7.29864 3.79182 9.74373 numMergedOcc 0
11 mol 92 unq 1 iso 1 dist 7.11438 5.62309 6.2185 7.29864 9.74373 3.79182 numMergedOcc 0
12 mol 92 unq 2 iso 0 dist 5.62309 7.11438 6.2185 7.7399 8.93569 3.98877 numMergedOcc 0
13 mol 92 unq 2 iso 1 dist 7.11438 5.62309 6.2185 7.7399 3.98877 8.93569 numMergedOcc 0
14 mol 93 unq 0 iso 0 dist 7.4518 9.1687 12.5773 5.10693 4.34681 9.11796 numMergedOcc 0
15 mol 93 unq 0 iso 1 dist 9.1687 7.4518 12.5773 5.10693 9.11796 4.34681 numMergedOcc 0
16 mol 93 unq 1 iso 0 dist 7.4518 9.1687 12.5773 6.58814 5.73248 7.24672 numMergedOcc 0
17 mol 93 unq 1 iso 1 dist 9.1687 7.4518 12.5773 6.58814 7.24672 5.73248 numMergedOcc 0
18 mol 93 unq 2 iso 0 dist 7.4518 9.1687 12.5773 6.13459 13.5809 10.6039 numMergedOcc 0
19 mol 93 unq 2 iso 1 dist 9.1687 7.4518 12.5773 6.13459 10.6039 13.5809 numMergedOcc 0
20 mol 93 unq 3 iso 0 dist 7.4518 9.1687 12.5773 7.54391 14.149 6.48338 numMergedOcc 0
21 mol 93 unq 3 iso 1 dist 9.1687 7.4518 12.5773 7.54391 6.48338 14.149 numMergedOcc 0
22 mol 113 unq 0 iso 0 dist 9.66068 8.03783 4.09459 7.96893 6.29259 8.17309 numMergedOcc 0
23 mol 113 unq 0 iso 1 dist 8.03783 9.66068 4.09459 7.96893 8.17309 6.29259 numMergedOcc 0
24 mol 128 unq 0 iso 0 dist 9.49761 6.03154 10.0457 8.46801 12.2606 6.30769 numMergedOcc 0
25 mol 128 unq 0 iso 1 dist 6.03154 9.49761 10.0457 8.46801 6.30769 12.2606 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 8.30496 6.78469 4.27704 9.48934 8.79381 5.16197 numMergedOcc 0
27 mol 141 unq 0 iso 1 dist 6.78469 8.30496 4.27704 9.48934 5.16197 8.79381 numMergedOcc 0
28 mol 154 unq 0 iso 0 dist 5.60184 8.86862 7.39076 6.12278 4.03185 11.2909 numMergedOcc 0
29 mol 154 unq 0 iso 1 dist 8.86862 5.60184 7.39076 6.12278 11.2909 4.03185 numMergedOcc 0
30 mol 154 unq 1 iso 0 dist 5.60184 7.08477 6.92308 6.12278 4.03185 9.94519 numMergedOcc 0
31 mol 154 unq 1 iso 1 dist 7.08477 5.60184 6.92308 6.12278 9.94519 4.03185 numMergedOcc 0
32 mol 154 unq 1 iso 0 dist 8.86862 7.08477 5.273 6.12278 11.2909 9.94519 numMergedOcc 0
33 mol 154 unq 1 iso 1 dist 7.08477 8.86862 5.273 6.12278 9.94519 11.2909 numMergedOcc 0
34 mol 169 unq 0 iso 0 dist 7.91434 7.79437 5.63521 7.50458 14.0793 14.1141 numMergedOcc 0
35 mol 169 unq 0 iso 1 dist 7.79437 7.91434 5.63521 7.50458 14.1141 14.0793 numMergedOcc 0
36 mol 169 unq 1 iso 0 dist 7.91434 7.79437 5.63521 5.79554 13.629 13.1539 numMergedOcc 0
37 mol 169 unq 1 iso 1 dist 7.79437 7.91434 5.63521 5.79554 13.1539 13.629 numMergedOcc 0
38 mol 169 unq 2 iso 0 dist 7.91434 7.79437 5.63521 4.22003 11.1464 11.6489 numMergedOcc 0
39 mol 169 unq 2 iso 1 dist 7.79437 7.91434 5.63521 4.22003 11.6489 11.1464 numMergedOcc 0
40 mol 180 unq 0 iso 0 dist 9.54753 8.79411 7.65028 6.91244 9.19793 3.77126 numMergedOcc 0
41 mol 180 unq 0 iso 1 dist 8.79411 9.54753 7.65028 6.91244 3.77126 9.19793 numMergedOcc 0
42 mol 222 unq 0 iso 0 dist 5.89818 9.32543 11.3283 4.90656 3.98604 7.99695 numMergedOcc 0
43 mol 222 unq 0 iso 1 dist 9.32543 5.89818 11.3283 4.90656 7.99695 3.98604 numMergedOcc 0
44 mol 232 unq 0 iso 0 dist 9.41148 7.83422 16.4381 9.67243 9.85068 12.3471 numMergedOcc 0
45 mol 232 unq 0 iso 1 dist 7.83422 9.41148 16.4381 9.67243 12.3471 9.85068 numMergedOcc 0
46 mol 274 unq 0 iso 0 dist 9.11072 6.83113 11.6106 9.82713 8.87313 6.97575 numMergedOcc 0
47 mol 274 unq 0 iso 1 dist 6.83113 9.11072 11.6106 9.82713 6.97575 8.87313 numMergedOcc 0
48 mol 274 unq 1 iso 0 dist 9.11072 9.44134 10.3492 9.82713 8.87313 9.92055 numMergedOcc 0
49 mol 274 unq 1 iso 1 dist 9.44134 9.11072 10.3492 9.82713 9.92055 8.87313 numMergedOcc 0
50 mol 274 unq 1 iso 0 dist 6.83113 9.44134 7.0237 9.82713 6.97575 9.92055 numMergedOcc 0
51 mol 274 unq 1 iso 1 dist 9.44134 6.83113 7.0237 9.82713 9.92055 6.97575 numMergedOcc 0
