0 mol 0 unq 0 iso 0 dist 6.31889 5.14913 6.91778 11.2223 5.8463 9.67081 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 9.52695 5.8961 5.96346 11.7765 13.5125 8.68293 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 9.52695 5.8961 5.96346 9.07476 6.76736 6.84216 numMergedOcc 0
3 mol 11 unq 2 iso 0 dist 9.78754 5.71129 6.35398 11.8229 12.9584 8.01262 numMergedOcc 0
4 mol 11 unq 3 iso 0 dist 9.78754 5.71129 6.35398 9.04534 6.51674 6.58046 numMergedOcc 0
5 mol 15 unq 0 iso 0 dist 5.19544 5.69927 5.89412 5.70754 5.69755 8.4014 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 7.05148 6.17631 8.6653 11.3003 10.3493 7.03372 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 5.93987 4.73713 8.18107 5.04673 4.30488 5.42067 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 5.93987 4.36394 9.8859 5.04673 4.30488 7.36435 numMergedOcc 0
9 mol 92 unq 2 iso 0 dist 7.7913 4.73713 5.9465 5.04673 5.09449 5.42067 numMergedOcc 0
10 mol 92 unq 3 iso 0 dist 7.7913 4.36394 6.97962 5.04673 5.09449 7.36435 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 8.48774 11.1132 6.60933 14.9801 6.57741 8.11702 numMergedOcc 0
12 mol 109 unq 1 iso 0 dist 8.48774 11.1132 6.60933 6.3323 4.0719 7.44558 numMergedOcc 0
13 mol 109 unq 2 iso 0 dist 9.53055 6.78736 6.60933 10.8408 6.57741 8.11702 numMergedOcc 0
14 mol 109 unq 3 iso 0 dist 9.53055 6.78736 6.60933 11.5535 4.0719 7.44558 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 5.37302 14.0364 9.66219 7.08403 3.52111 7.02367 numMergedOcc 0
16 mol 113 unq 1 iso 0 dist 5.37302 14.0364 9.66219 15.267 13.7232 9.30832 numMergedOcc 0
17 mol 113 unq 2 iso 0 dist 9.66068 16.3524 8.8822 11.3681 5.40648 7.02367 numMergedOcc 0
18 mol 113 unq 3 iso 0 dist 9.66068 16.3524 8.8822 19.7026 15.5674 9.30832 numMergedOcc 0
19 mol 113 unq 4 iso 0 dist 8.03783 16.3524 9.66219 11.3681 3.52111 7.02367 numMergedOcc 0
20 mol 113 unq 5 iso 0 dist 8.03783 16.3524 9.66219 19.7026 13.7232 9.30832 numMergedOcc 0
21 mol 113 unq 6 iso 0 dist 8.47541 12.1308 9.66219 9.88567 3.52111 7.02367 numMergedOcc 0
22 mol 113 unq 7 iso 0 dist 8.47541 12.1308 9.66219 14.4165 13.7232 9.30832 numMergedOcc 0
23 mol 114 unq 0 iso 0 dist 8.96382 8.14567 6.84011 10.7196 5.99273 9.93438 numMergedOcc 0
24 mol 119 unq 0 iso 0 dist 8.75431 10.7421 8.99399 9.72764 5.77063 7.60162 numMergedOcc 0
25 mol 141 unq 0 iso 0 dist 6.78469 6.4437 9.87644 9.48934 5.16197 9.3273 numMergedOcc 0
26 mol 141 unq 1 iso 0 dist 8.01453 5.91683 9.87644 6.41183 5.16197 9.3273 numMergedOcc 0
27 mol 163 unq 0 iso 0 dist 9.62943 4.12904 9.07943 11.9872 9.82832 9.90947 numMergedOcc 0
28 mol 163 unq 1 iso 0 dist 9.62943 4.12904 9.07943 9.37245 9.10855 8.16252 numMergedOcc 0
29 mol 168 unq 0 iso 0 dist 8.90876 12.1014 7.44629 8.00063 5.71136 8.92592 numMergedOcc 0
30 mol 168 unq 1 iso 0 dist 8.90876 12.1014 7.44629 10.8516 5.46307 9.57452 numMergedOcc 0
31 mol 184 unq 0 iso 0 dist 8.95598 4.41193 6.42735 11.7036 5.05856 9.84566 numMergedOcc 0
32 mol 184 unq 1 iso 0 dist 8.95598 4.41193 6.42735 9.10344 5.69882 8.22001 numMergedOcc 0
33 mol 195 unq 0 iso 0 dist 8.80931 5.90604 7.36683 9.88738 9.10355 6.59544 numMergedOcc 0
34 mol 205 unq 0 iso 0 dist 5.86419 4.78067 4.8668 13.0087 9.43113 9.31158 numMergedOcc 0
35 mol 205 unq 1 iso 0 dist 7.23557 4.2475 4.8668 8.93485 9.43113 9.31158 numMergedOcc 0
36 mol 205 unq 2 iso 0 dist 8.86587 6.8901 4.8668 5.66636 9.43113 9.31158 numMergedOcc 0
37 mol 219 unq 0 iso 0 dist 7.13099 5.0241 7.59632 12.8918 8.27505 9.64116 numMergedOcc 0
38 mol 222 unq 0 iso 0 dist 5.89818 4.82768 7.67576 4.90656 3.98604 5.1609 numMergedOcc 0
39 mol 222 unq 1 iso 0 dist 9.32543 4.82768 9.82371 4.90656 7.99695 5.1609 numMergedOcc 0
40 mol 232 unq 0 iso 0 dist 7.83422 9.60401 9.05071 11.6863 12.159 8.25985 numMergedOcc 0
41 mol 232 unq 1 iso 0 dist 7.83422 9.60401 9.05071 12.0387 8.36223 9.27788 numMergedOcc 0
42 mol 237 unq 0 iso 0 dist 8.42502 10.0582 9.20822 14.486 12.5736 9.7255 numMergedOcc 0
43 mol 238 unq 0 iso 0 dist 7.26887 4.39639 8.94014 12.9223 13.4894 8.94231 numMergedOcc 0
44 mol 238 unq 1 iso 0 dist 7.26887 6.57364 7.02333 12.9223 13.4894 8.88652 numMergedOcc 0
45 mol 238 unq 2 iso 0 dist 7.26887 10.9854 8.67864 12.9223 13.4894 6.46771 numMergedOcc 0
46 mol 274 unq 0 iso 0 dist 9.11072 9.85454 9.85289 13.1593 5.14522 9.83622 numMergedOcc 0
47 mol 274 unq 1 iso 0 dist 9.02071 5.9882 9.85289 11.8576 5.14522 9.83622 numMergedOcc 0
48 mol 287 unq 0 iso 0 dist 7.76945 5.25853 8.91712 9.1471 3.96271 9.18744 numMergedOcc 0
49 mol 287 unq 1 iso 0 dist 7.76945 7.19628 9.65934 7.84189 5.39801 5.30118 numMergedOcc 0
50 mol 288 unq 0 iso 0 dist 7.76945 5.25853 8.91712 9.1471 3.96271 9.18744 numMergedOcc 0
51 mol 288 unq 1 iso 0 dist 7.76945 7.19628 9.65934 7.84189 5.39801 5.30118 numMergedOcc 0
52 mol 289 unq 0 iso 0 dist 7.76945 5.25853 8.91712 9.1471 3.96271 9.18744 numMergedOcc 0
53 mol 289 unq 1 iso 0 dist 7.76945 7.19628 9.65934 7.84189 5.39801 5.30118 numMergedOcc 0
