0 mol 10 unq 0 iso 0 dist 6.20404 9.20508 7.88617 8.97985 4.87139 6.08667 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 6.20404 9.93682 4.88934 8.97985 4.87139 3.9383 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 8.61226 7.27643 6.06435 9.03928 5.34619 5.67846 numMergedOcc 0
3 mol 30 unq 1 iso 0 dist 6.79739 7.90081 6.06435 8.93805 4.61651 4.02746 numMergedOcc 0
4 mol 31 unq 0 iso 0 dist 9.70888 7.44056 7.30482 8.47797 3.71798 6.97727 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.60396 9.9451 13.0593 7.86479 4.89928 11.8894 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 5.35101 8.80308 4.37642 9.1791 7.4999 10.3684 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 5.35101 8.80308 4.37642 6.86485 4.99692 5.66912 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 5.35101 8.80308 4.37642 8.37546 3.70586 5.76523 numMergedOcc 0
9 mol 67 unq 0 iso 0 dist 5.16558 7.98453 4.31746 6.89527 3.77705 5.26394 numMergedOcc 0
10 mol 67 unq 1 iso 0 dist 9.62459 7.98453 7.58981 6.89527 7.64337 5.26394 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 9.04935 6.9297 6.04435 8.52697 10.0025 3.99035 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 9.04935 6.9297 6.04435 9.66612 10.8249 5.45824 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 9.66549 5.99046 7.40161 6.24296 13.0679 11.0952 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 9.66549 5.99046 7.40161 6.83218 15.4283 12.5181 numMergedOcc 0
15 mol 91 unq 0 iso 0 dist 7.62621 4.86532 10.4949 6.64714 6.44712 10.6223 numMergedOcc 0
16 mol 93 unq 0 iso 0 dist 8.84466 6.70158 12.9548 9.43355 3.91263 14.433 numMergedOcc 0
17 mol 93 unq 1 iso 0 dist 8.84466 6.70158 12.9548 5.64141 5.59024 9.54244 numMergedOcc 0
18 mol 93 unq 2 iso 0 dist 8.84466 6.70158 12.9548 5.46186 12.9872 9.86691 numMergedOcc 0
19 mol 93 unq 3 iso 0 dist 8.84466 7.29701 15.595 9.43355 3.91263 14.9656 numMergedOcc 0
20 mol 93 unq 4 iso 0 dist 8.84466 7.29701 15.595 5.64141 5.59024 11.5397 numMergedOcc 0
21 mol 93 unq 5 iso 0 dist 8.84466 7.29701 15.595 5.46186 12.9872 5.43515 numMergedOcc 0
22 mol 93 unq 6 iso 0 dist 9.2948 6.70158 13.6308 9.43355 15.8131 14.433 numMergedOcc 0
23 mol 93 unq 7 iso 0 dist 9.2948 6.70158 13.6308 5.64141 13.6266 9.54244 numMergedOcc 0
24 mol 93 unq 8 iso 0 dist 9.2948 6.70158 13.6308 5.46186 5.17052 9.86691 numMergedOcc 0
25 mol 93 unq 9 iso 0 dist 9.2948 7.29701 4.38413 9.43355 15.8131 14.9656 numMergedOcc 0
26 mol 93 unq 10 iso 0 dist 9.2948 7.29701 4.38413 5.64141 13.6266 11.5397 numMergedOcc 0
27 mol 93 unq 11 iso 0 dist 9.2948 7.29701 4.38413 5.46186 5.17052 5.43515 numMergedOcc 0
28 mol 115 unq 0 iso 0 dist 7.99121 9.19273 12.7351 9.26505 12.8905 6.44969 numMergedOcc 0
29 mol 115 unq 1 iso 0 dist 6.30982 9.19273 9.25102 9.26505 11.7277 6.44969 numMergedOcc 0
30 mol 115 unq 2 iso 0 dist 6.12404 9.19273 4.08294 9.26505 8.29196 6.44969 numMergedOcc 0
31 mol 133 unq 0 iso 0 dist 5.59311 9.68996 6.00816 7.33743 3.84992 4.10674 numMergedOcc 0
32 mol 133 unq 1 iso 0 dist 9.22456 9.68996 8.76048 7.33743 5.68827 4.10674 numMergedOcc 0
33 mol 133 unq 2 iso 0 dist 5.7232 9.68996 14.6925 7.33743 11.5628 4.10674 numMergedOcc 0
34 mol 147 unq 0 iso 0 dist 5.70772 6.6094 10.7246 8.73613 11.5768 3.88427 numMergedOcc 0
35 mol 173 unq 0 iso 0 dist 7.76856 6.07708 5.04427 5.82174 9.35913 4.60149 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 8.94464 5.87853 10.0344 9.19831 7.88733 5.14966 numMergedOcc 0
37 mol 181 unq 1 iso 0 dist 8.63713 5.87853 3.90972 9.19831 5.76612 5.14966 numMergedOcc 0
38 mol 181 unq 2 iso 0 dist 8.92685 8.83185 8.35127 7.83476 5.31548 4.98436 numMergedOcc 0
39 mol 186 unq 0 iso 0 dist 7.45384 7.77211 13.0423 9.22792 14.8878 8.65911 numMergedOcc 0
40 mol 186 unq 1 iso 0 dist 7.45384 7.77211 13.0423 7.85696 12.1704 5.48935 numMergedOcc 0
41 mol 186 unq 2 iso 0 dist 7.45384 7.77211 13.0423 5.00402 10.8153 3.87082 numMergedOcc 0
42 mol 186 unq 3 iso 0 dist 7.45384 7.77211 13.0423 6.17773 7.87503 5.94181 numMergedOcc 0
43 mol 266 unq 0 iso 0 dist 6.86805 5.62193 6.00136 9.1946 8.9784 6.47745 numMergedOcc 0
44 mol 287 unq 0 iso 0 dist 8.19213 8.58448 8.99712 9.98518 10.8866 11.1883 numMergedOcc 0
45 mol 287 unq 1 iso 0 dist 5.80664 8.58448 4.3442 9.98518 7.54288 11.1883 numMergedOcc 0
46 mol 288 unq 0 iso 0 dist 8.19213 8.58448 8.99712 9.98518 10.8866 11.1883 numMergedOcc 0
47 mol 288 unq 1 iso 0 dist 5.80664 8.58448 4.3442 9.98518 7.54288 11.1883 numMergedOcc 0
48 mol 289 unq 0 iso 0 dist 8.19213 8.58448 8.99712 9.98518 10.8866 11.1883 numMergedOcc 0
49 mol 289 unq 1 iso 0 dist 5.80664 8.58448 4.3442 9.98518 7.54288 11.1883 numMergedOcc 0
