0 mol 16 unq 0 iso 0 dist 9.76968 8.55371 5.47769 5.36195 8.43054 4.68733 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 6.36193 6.05206 9.64665 4.99692 9.22598 8.59939 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 4.88613 9.80755 8.89374 4.99692 8.96727 14.6599 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 4.88613 9.80755 8.89374 3.70586 8.01308 9.47022 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.99491 6.84612 8.68586 9.07673 9.86334 8.84224 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 8.04256 9.07668 7.96497 7.21365 7.39665 7.39155 numMergedOcc 0
6 mol 68 unq 1 iso 0 dist 7.51075 3.89794 7.96497 6.56256 7.39665 7.39155 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 6.18305 4.31731 4.65521 4.21749 8.68662 6.10063 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 6.18305 4.31731 4.65521 5.65986 7.4369 6.15714 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 8.06168 4.65267 7.13087 13.9003 8.72682 10.1413 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 8.06168 4.65267 7.13087 8.88868 6.45841 7.79034 numMergedOcc 0
11 mol 73 unq 4 iso 0 dist 8.06168 4.65267 7.13087 10.8798 5.61588 8.97361 numMergedOcc 0
12 mol 73 unq 5 iso 0 dist 8.06168 4.65267 7.13087 13.7267 7.83244 10.2983 numMergedOcc 0
13 mol 73 unq 6 iso 0 dist 8.67532 13.4661 7.13087 17.2466 8.72682 10.1413 numMergedOcc 0
14 mol 73 unq 7 iso 0 dist 8.67532 13.4661 7.13087 10.2047 6.45841 7.79034 numMergedOcc 0
15 mol 73 unq 8 iso 0 dist 8.67532 13.4661 7.13087 10.8441 5.61588 8.97361 numMergedOcc 0
16 mol 73 unq 9 iso 0 dist 8.67532 13.4661 7.13087 15.2203 7.83244 10.2983 numMergedOcc 0
17 mol 74 unq 0 iso 0 dist 9.99155 3.94075 8.96501 8.14688 7.93281 5.38404 numMergedOcc 0
18 mol 76 unq 0 iso 0 dist 8.58841 10.5948 8.97793 16.3337 9.85905 9.21694 numMergedOcc 0
19 mol 76 unq 1 iso 0 dist 8.58841 13.8628 8.19682 16.3337 9.85905 4.00608 numMergedOcc 0
20 mol 76 unq 2 iso 0 dist 6.4551 13.2281 9.49449 5.79134 9.6952 14.5852 numMergedOcc 0
21 mol 86 unq 0 iso 0 dist 8.88225 14.1743 7.79359 6.62266 7.90423 9.49725 numMergedOcc 0
22 mol 86 unq 1 iso 0 dist 9.49308 12.091 7.79359 3.88769 7.90423 9.49725 numMergedOcc 0
23 mol 88 unq 0 iso 0 dist 9.72689 7.10144 8.66514 10.0429 7.80898 7.15936 numMergedOcc 0
24 mol 88 unq 1 iso 0 dist 9.72689 9.32959 9.25235 10.0429 7.80898 10.8763 numMergedOcc 0
25 mol 88 unq 2 iso 0 dist 7.74197 10.0278 8.66514 11.151 7.80898 7.15936 numMergedOcc 0
26 mol 88 unq 3 iso 0 dist 7.74197 8.37153 9.25235 11.151 7.80898 10.8763 numMergedOcc 0
27 mol 109 unq 0 iso 0 dist 8.3164 5.49138 5.87358 8.08642 7.07971 5.15674 numMergedOcc 0
28 mol 115 unq 0 iso 0 dist 5.02717 9.81097 8.66155 5.33827 7.69765 9.13361 numMergedOcc 0
29 mol 115 unq 1 iso 0 dist 5.02717 9.81097 8.66155 12.6105 9.42082 6.49835 numMergedOcc 0
30 mol 127 unq 0 iso 0 dist 9.42513 10.2034 9.81878 8.71432 6.08673 12.2579 numMergedOcc 0
31 mol 134 unq 0 iso 0 dist 9.92932 6.27009 8.79571 3.76211 7.21868 5.67107 numMergedOcc 0
32 mol 134 unq 1 iso 0 dist 9.60411 6.27009 5.42582 11.6349 9.33924 6.0991 numMergedOcc 0
33 mol 134 unq 2 iso 0 dist 9.60411 6.27009 5.42582 3.76211 7.93372 5.67107 numMergedOcc 0
34 mol 134 unq 3 iso 0 dist 9.55556 10.2625 8.79571 4.63732 7.21868 5.67107 numMergedOcc 0
35 mol 181 unq 0 iso 0 dist 9.84952 11.14 7.98142 7.19461 6.64173 4.48306 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 9.84952 11.14 7.98142 9.77747 9.01624 12.2513 numMergedOcc 0
37 mol 181 unq 2 iso 0 dist 9.84952 11.14 7.98142 10.0615 9.55105 10.2172 numMergedOcc 0
38 mol 181 unq 3 iso 0 dist 9.84952 10.9006 7.37327 7.19461 6.64173 4.88823 numMergedOcc 0
39 mol 181 unq 4 iso 0 dist 9.84952 10.9006 7.37327 9.77747 9.01624 14.8923 numMergedOcc 0
40 mol 181 unq 5 iso 0 dist 9.84952 10.9006 7.37327 10.0615 9.55105 14.2334 numMergedOcc 0
41 mol 205 unq 0 iso 0 dist 5.96555 12.5517 9.19704 6.96644 6.52816 13.4094 numMergedOcc 0
42 mol 214 unq 0 iso 0 dist 9.51764 6.09245 6.97182 14.8375 7.46481 11.357 numMergedOcc 0
43 mol 214 unq 1 iso 0 dist 9.51764 10.8345 6.1175 14.8375 7.46481 10.9581 numMergedOcc 0
44 mol 214 unq 2 iso 0 dist 5.36829 8.69149 6.97182 5.47184 7.46481 11.357 numMergedOcc 0
45 mol 214 unq 3 iso 0 dist 5.36829 6.00706 6.1175 5.47184 7.46481 10.9581 numMergedOcc 0
46 mol 218 unq 0 iso 0 dist 7.73315 12.9902 8.53199 3.5359 7.33709 11.6662 numMergedOcc 0
47 mol 220 unq 0 iso 0 dist 7.16386 3.90017 7.61951 4.94998 8.2123 4.42755 numMergedOcc 0
48 mol 234 unq 0 iso 0 dist 7.86368 16.9465 9.5707 9.8663 7.81215 11.8229 numMergedOcc 0
49 mol 234 unq 1 iso 0 dist 7.86368 15.442 7.85175 9.8663 7.81215 10.5304 numMergedOcc 0
50 mol 257 unq 0 iso 0 dist 9.83721 6.72853 7.27505 14.007 7.81897 7.89807 numMergedOcc 0
51 mol 257 unq 1 iso 0 dist 7.82899 7.37187 7.14834 14.9352 8.83833 10.0311 numMergedOcc 0
52 mol 259 unq 0 iso 0 dist 6.42725 7.53102 6.77938 11.761 8.03219 8.90322 numMergedOcc 0
53 mol 259 unq 1 iso 0 dist 6.42725 7.53102 6.77938 6.09466 6.9899 9.2872 numMergedOcc 0
54 mol 259 unq 2 iso 0 dist 6.42725 6.58569 7.76676 11.761 8.03219 7.27192 numMergedOcc 0
55 mol 259 unq 3 iso 0 dist 6.42725 6.58569 7.76676 6.09466 6.9899 4.61451 numMergedOcc 0
56 mol 274 unq 0 iso 0 dist 9.65265 6.93865 6.50589 18.3627 9.30212 15.0646 numMergedOcc 0
57 mol 274 unq 1 iso 0 dist 9.65265 6.93865 6.50589 11.4981 6.4611 5.70568 numMergedOcc 0
58 mol 277 unq 0 iso 0 dist 9.29635 13.8592 9.41725 12.7269 9.35539 7.07508 numMergedOcc 0
59 mol 277 unq 1 iso 0 dist 9.29635 13.8592 9.41725 12.2421 8.9682 18.3854 numMergedOcc 0
60 mol 277 unq 2 iso 0 dist 9.29635 13.8592 9.41725 10.9521 6.92711 16.1088 numMergedOcc 0
61 mol 292 unq 0 iso 0 dist 9.6898 13.2729 9.454 18.4042 9.9182 8.68456 numMergedOcc 0
62 mol 292 unq 1 iso 0 dist 9.6898 13.2729 9.454 14.5738 8.9221 7.29981 numMergedOcc 0
63 mol 292 unq 2 iso 0 dist 5.75596 6.58789 9.454 6.65781 9.9182 8.68456 numMergedOcc 0
64 mol 292 unq 3 iso 0 dist 5.75596 6.58789 9.454 4.00064 8.9221 7.29981 numMergedOcc 0
