0 mol 0 unq 0 iso 0 dist 8.31596 5.88757 4.22598 8.8123 6.3267 8.66548 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 6.3267 8.66548 4.22598 8.8123 8.31596 5.88757 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 9.29529 9.71516 3.91075 5.80437 7.2199 9.81658 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 7.2199 9.81658 3.91075 5.80437 9.29529 9.71516 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 6.9513 9.81658 8.25089 5.80437 10.3656 9.71516 numMergedOcc 0
5 mol 9 unq 3 iso 0 dist 9.16116 9.81658 12.0874 5.80437 11.0149 9.71516 numMergedOcc 0
6 mol 9 unq 4 iso 0 dist 8.47109 9.81658 14.6279 5.80437 13.0178 9.71516 numMergedOcc 0
7 mol 34 unq 0 iso 0 dist 8.55901 8.38156 10.4688 13.0804 12.2009 7.882 numMergedOcc 0
8 mol 34 unq 1 iso 0 dist 8.55901 8.38156 10.4688 7.76895 11.9657 6.016 numMergedOcc 0
9 mol 34 unq 2 iso 0 dist 8.55901 7.08559 7.52709 12.6781 11.0493 8.63635 numMergedOcc 0
10 mol 34 unq 3 iso 0 dist 9.03412 8.38156 5.60198 13.0804 12.8686 7.882 numMergedOcc 0
11 mol 34 unq 4 iso 0 dist 9.03412 8.38156 5.60198 7.76895 10.8966 6.016 numMergedOcc 0
12 mol 34 unq 5 iso 0 dist 9.03412 7.08559 10.3431 12.6781 18.4892 8.63635 numMergedOcc 0
13 mol 58 unq 0 iso 0 dist 8.80108 7.03126 11.0945 14.2885 16.5169 9.68228 numMergedOcc 0
14 mol 72 unq 0 iso 0 dist 9.19459 9.37102 5.11318 6.31884 11.7653 8.8184 numMergedOcc 0
15 mol 72 unq 1 iso 0 dist 9.19459 9.37102 5.11318 4.64409 8.59747 7.93683 numMergedOcc 0
16 mol 72 unq 2 iso 0 dist 9.19459 5.4605 6.74416 6.31884 11.7653 6.1906 numMergedOcc 0
17 mol 72 unq 3 iso 0 dist 9.19459 5.4605 6.74416 4.64409 8.59747 6.7272 numMergedOcc 0
18 mol 72 unq 4 iso 0 dist 9.19459 6.53824 10.7904 6.31884 11.7653 7.67686 numMergedOcc 0
19 mol 72 unq 5 iso 0 dist 8.59747 7.93683 5.11318 4.64409 9.19459 9.37102 numMergedOcc 0
20 mol 72 unq 6 iso 0 dist 8.59747 7.93683 5.11318 6.08893 11.7653 8.8184 numMergedOcc 0
21 mol 72 unq 7 iso 0 dist 8.59747 6.7272 6.74416 4.64409 9.19459 5.4605 numMergedOcc 0
22 mol 72 unq 8 iso 0 dist 8.59747 6.7272 6.74416 6.08893 11.7653 6.1906 numMergedOcc 0
23 mol 141 unq 0 iso 0 dist 8.55681 4.26972 6.37052 6.83062 11.0104 7.54341 numMergedOcc 0
24 mol 155 unq 0 iso 0 dist 7.37901 5.36254 4.48516 5.68272 11.3251 7.29911 numMergedOcc 0
25 mol 213 unq 0 iso 0 dist 8.74171 5.461 7.09198 6.04429 12.9507 8.65196 numMergedOcc 0
26 mol 218 unq 0 iso 0 dist 8.57853 8.61306 16.2592 4.63933 12.0985 9.59426 numMergedOcc 0
27 mol 218 unq 1 iso 0 dist 6.75035 8.61306 10.1772 4.63933 10.9643 9.59426 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 4.55996 5.73591 5.93269 4.74813 9.17104 8.55345 numMergedOcc 0
29 mol 225 unq 0 iso 0 dist 8.75834 8.91356 3.92979 15.6443 9.36396 9.59574 numMergedOcc 0
30 mol 225 unq 1 iso 0 dist 7.51827 8.91356 13.317 15.6443 22.0285 9.59574 numMergedOcc 0
31 mol 225 unq 2 iso 0 dist 9.36396 9.59574 3.92979 15.6443 8.75834 8.91356 numMergedOcc 0
32 mol 234 unq 0 iso 0 dist 8.49841 8.27411 6.00588 5.32617 10.0446 7.36208 numMergedOcc 0
33 mol 234 unq 1 iso 0 dist 8.49841 6.96257 14.8966 6.31377 13.819 6.86569 numMergedOcc 0
34 mol 234 unq 2 iso 0 dist 8.49841 9.11572 11.8229 12.4341 13.7038 9.49229 numMergedOcc 0
35 mol 234 unq 3 iso 0 dist 8.49841 9.11572 11.8229 10.9755 9.6101 7.20293 numMergedOcc 0
36 mol 234 unq 4 iso 0 dist 9.6101 8.27411 13.9373 5.32617 10.7048 7.36208 numMergedOcc 0
37 mol 234 unq 5 iso 0 dist 9.6101 6.96257 10.72 6.31377 12.2448 6.86569 numMergedOcc 0
38 mol 234 unq 6 iso 0 dist 9.6101 7.20293 11.8229 10.9755 8.49841 9.11572 numMergedOcc 0
39 mol 234 unq 7 iso 0 dist 9.6101 7.20293 11.8229 5.6054 13.7038 9.49229 numMergedOcc 0
40 mol 234 unq 8 iso 0 dist 5.32183 7.20293 6.45373 10.9755 11.8534 9.11572 numMergedOcc 0
41 mol 234 unq 9 iso 0 dist 5.32183 7.20293 6.45373 5.6054 10.5718 9.49229 numMergedOcc 0
42 mol 238 unq 0 iso 0 dist 6.65088 6.85253 6.29757 6.44245 11.4385 9.38131 numMergedOcc 0
43 mol 238 unq 1 iso 0 dist 6.65088 6.85253 6.29757 13.0634 9.0378 9.08687 numMergedOcc 0
44 mol 238 unq 2 iso 0 dist 6.5772 7.39547 9.79637 9.50847 6.17025 7.24334 numMergedOcc 0
45 mol 238 unq 3 iso 0 dist 6.17025 5.43613 4.02449 6.34909 9.0378 7.06768 numMergedOcc 0
46 mol 238 unq 4 iso 0 dist 6.17025 7.24334 9.79637 9.50847 6.5772 7.39547 numMergedOcc 0
47 mol 238 unq 5 iso 0 dist 9.0378 7.06768 4.02449 6.34909 6.17025 5.43613 numMergedOcc 0
48 mol 238 unq 6 iso 0 dist 9.0378 9.08687 6.29757 13.7867 11.4385 9.38131 numMergedOcc 0
49 mol 238 unq 7 iso 0 dist 9.0378 9.08687 6.29757 13.0634 6.65088 6.85253 numMergedOcc 0
