0 mol 33 unq 0 iso 0 dist 5.65377 7.15141 6.08005 9.06004 3.82411 8.39877 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 5.65377 7.15141 6.08005 9.34266 4.28598 5.85188 numMergedOcc 0
2 mol 36 unq 0 iso 0 dist 5.85008 8.05598 6.26111 5.58536 3.5215 9.13772 numMergedOcc 0
3 mol 36 unq 1 iso 0 dist 9.54644 7.34019 6.26111 6.6055 11.721 8.76585 numMergedOcc 0
4 mol 36 unq 2 iso 0 dist 9.54644 8.43828 14.9059 6.6055 11.721 8.91922 numMergedOcc 0
5 mol 46 unq 0 iso 0 dist 6.47185 9.31319 4.71369 9.942 15.3318 15.711 numMergedOcc 0
6 mol 46 unq 1 iso 0 dist 6.47185 9.31319 4.71369 5.92771 3.8412 7.13979 numMergedOcc 0
7 mol 46 unq 2 iso 0 dist 6.47185 8.2513 5.80658 9.942 15.3318 16.0486 numMergedOcc 0
8 mol 46 unq 3 iso 0 dist 6.47185 8.2513 5.80658 5.92771 3.8412 9.26597 numMergedOcc 0
9 mol 53 unq 0 iso 0 dist 6.22911 8.61163 4.43656 7.77212 5.86778 5.8646 numMergedOcc 0
10 mol 53 unq 1 iso 0 dist 9.90794 8.61163 10.8186 7.77212 11.146 5.8646 numMergedOcc 0
11 mol 53 unq 2 iso 0 dist 6.87621 8.61163 6.29666 7.77212 3.72241 5.8646 numMergedOcc 0
12 mol 53 unq 3 iso 0 dist 6.76484 7.80805 4.43656 9.72637 9.25439 5.20563 numMergedOcc 0
13 mol 54 unq 0 iso 0 dist 6.46263 7.51978 9.65953 7.18148 10.3901 13.8618 numMergedOcc 0
14 mol 69 unq 0 iso 0 dist 8.61203 6.27528 6.77896 7.07055 7.7289 5.54818 numMergedOcc 0
15 mol 91 unq 0 iso 0 dist 9.23907 7.28711 5.27581 8.47126 9.46631 9.80027 numMergedOcc 0
16 mol 103 unq 0 iso 0 dist 9.66944 5.94478 9.57454 7.85115 15.8357 8.02001 numMergedOcc 0
17 mol 122 unq 0 iso 0 dist 9.00703 7.43775 7.00151 8.88554 8.17011 9.78876 numMergedOcc 0
18 mol 122 unq 1 iso 0 dist 9.00703 8.09594 6.52272 8.88554 8.17011 4.59202 numMergedOcc 0
19 mol 167 unq 0 iso 0 dist 7.62006 4.93984 7.01116 7.33483 3.85621 6.13061 numMergedOcc 0
20 mol 176 unq 0 iso 0 dist 9.67515 4.96326 9.5735 7.02812 4.84545 5.02061 numMergedOcc 0
21 mol 182 unq 0 iso 0 dist 8.86262 6.31492 4.61382 8.43599 10.0547 11.1685 numMergedOcc 0
22 mol 182 unq 1 iso 0 dist 7.23874 6.31492 8.09718 8.43599 3.51217 11.1685 numMergedOcc 0
23 mol 182 unq 2 iso 0 dist 6.06892 7.8621 11.8631 7.01577 7.7167 6.1548 numMergedOcc 0
24 mol 192 unq 0 iso 0 dist 9.44978 9.05666 4.94984 8.42665 9.80412 12.1342 numMergedOcc 0
25 mol 218 unq 0 iso 0 dist 6.43416 5.52981 6.75711 8.5458 9.83826 9.81852 numMergedOcc 0
26 mol 218 unq 1 iso 0 dist 6.43416 6.22077 9.70376 8.5458 9.83826 3.61669 numMergedOcc 0
27 mol 249 unq 0 iso 0 dist 8.84212 6.93507 5.0425 6.32658 4.76162 5.57138 numMergedOcc 0
28 mol 249 unq 1 iso 0 dist 8.84212 6.42827 12.6924 6.32658 4.76162 10.3504 numMergedOcc 0
29 mol 249 unq 2 iso 0 dist 7.10933 6.93507 6.45919 6.32658 3.89698 5.57138 numMergedOcc 0
30 mol 249 unq 3 iso 0 dist 7.10933 6.42827 8.71871 6.32658 3.89698 10.3504 numMergedOcc 0
31 mol 265 unq 0 iso 0 dist 5.90175 4.96568 4.75685 9.19805 3.8221 5.94366 numMergedOcc 0
32 mol 265 unq 1 iso 0 dist 5.90175 4.96568 4.75685 7.71301 3.5393 7.71667 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 6.81636 9.22576 9.91979 8.08382 11.4589 6.68639 numMergedOcc 0
34 mol 287 unq 1 iso 0 dist 7.26294 7.28096 11.2095 6.17759 4.13973 7.83168 numMergedOcc 0
35 mol 287 unq 2 iso 0 dist 7.26294 7.28096 11.2095 8.20391 7.1669 10.0322 numMergedOcc 0
36 mol 288 unq 0 iso 0 dist 6.81636 9.22576 9.91979 8.08382 11.4589 6.68639 numMergedOcc 0
37 mol 288 unq 1 iso 0 dist 7.26294 7.28096 11.2095 6.17759 4.13973 7.83168 numMergedOcc 0
38 mol 288 unq 2 iso 0 dist 7.26294 7.28096 11.2095 8.20391 7.1669 10.0322 numMergedOcc 0
39 mol 289 unq 0 iso 0 dist 6.81636 9.22576 9.91979 8.08382 11.4589 6.68639 numMergedOcc 0
40 mol 289 unq 1 iso 0 dist 7.26294 7.28096 11.2095 6.17759 4.13973 7.83168 numMergedOcc 0
41 mol 289 unq 2 iso 0 dist 7.26294 7.28096 11.2095 8.20391 7.1669 10.0322 numMergedOcc 0
