0 mol 25 unq 0 iso 0 dist 7.685 7.6114 7.1845 7.03372 4.60034 9.34154 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 8.68559 7.26268 5.57199 8.91596 4.84198 6.37026 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.09058 9.17838 8.47849 7.15542 5.59994 3.3785 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 8.09058 9.17838 8.47849 8.89047 7.78417 9.71725 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 8.09058 9.17838 8.47849 8.89003 5.47187 7.56478 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 6.40841 8.69057 11.0945 8.34191 3.8375 11.7295 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 6.40841 8.69057 11.0945 6.39747 6.11446 5.77163 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 8.89374 8.96727 14.6599 7.17488 4.43437 10.5853 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 8.89374 8.01308 9.47022 7.17488 4.43437 5.11422 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 9.02278 6.21799 5.5067 6.62699 7.82564 4.38233 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 9.02278 5.03251 4.01021 6.62699 7.82564 5.62585 numMergedOcc 0
11 mol 72 unq 2 iso 0 dist 9.02278 7.66093 6.40102 6.62699 7.82564 9.84528 numMergedOcc 0
12 mol 72 unq 3 iso 0 dist 8.624 9.74228 9.88768 8.26541 10.4337 4.38233 numMergedOcc 0
13 mol 72 unq 4 iso 0 dist 6.77912 7.12321 9.88768 4.86198 10.4337 4.38233 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 7.13087 8.72682 10.1413 8.62079 15.7104 14.0236 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 7.13087 6.45841 7.79034 8.62079 15.7104 11.9118 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 7.13087 5.61588 8.97361 8.62079 15.7104 10.0644 numMergedOcc 0
17 mol 73 unq 3 iso 0 dist 7.13087 7.83244 10.2983 8.62079 15.7104 12.1501 numMergedOcc 0
18 mol 88 unq 0 iso 0 dist 8.66514 7.80898 7.15936 9.07128 3.99025 9.11654 numMergedOcc 0
19 mol 88 unq 1 iso 0 dist 8.66514 7.80898 7.15936 6.65615 6.69123 10.8983 numMergedOcc 0
20 mol 88 unq 2 iso 0 dist 9.25235 7.80898 10.8763 9.07128 6.08504 9.11654 numMergedOcc 0
21 mol 88 unq 3 iso 0 dist 9.25235 7.80898 10.8763 6.65615 3.77436 10.8983 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 7.96555 7.13008 10.6094 4.17838 4.07336 7.35325 numMergedOcc 0
23 mol 127 unq 0 iso 0 dist 6.63981 7.79505 6.15949 6.80627 5.87751 11.1934 numMergedOcc 0
24 mol 132 unq 0 iso 0 dist 6.03703 6.89918 6.545 5.77186 5.82383 6.96373 numMergedOcc 0
25 mol 141 unq 0 iso 0 dist 6.93652 8.07097 4.22522 7.46621 5.72856 8.53163 numMergedOcc 0
26 mol 175 unq 0 iso 0 dist 9.52634 9.63417 4.14392 9.19156 16.559 14.8784 numMergedOcc 0
27 mol 178 unq 0 iso 0 dist 8.96511 9.11204 5.87125 4.72821 8.86443 9.56928 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 7.98142 6.64173 4.48306 8.29467 9.55459 5.09584 numMergedOcc 0
29 mol 181 unq 1 iso 0 dist 7.98142 9.01624 12.2513 8.29467 9.55459 11.4645 numMergedOcc 0
30 mol 181 unq 2 iso 0 dist 7.98142 9.55105 10.2172 8.29467 9.55459 11.5807 numMergedOcc 0
31 mol 181 unq 3 iso 0 dist 7.37327 6.64173 4.88823 8.29467 7.66761 5.09584 numMergedOcc 0
32 mol 181 unq 4 iso 0 dist 7.37327 9.01624 14.8923 8.29467 7.66761 11.4645 numMergedOcc 0
33 mol 181 unq 5 iso 0 dist 7.37327 9.55105 14.2334 8.29467 7.66761 11.5807 numMergedOcc 0
34 mol 184 unq 0 iso 0 dist 9.52936 8.97589 9.68365 9.84566 4.11581 6.68311 numMergedOcc 0
35 mol 184 unq 1 iso 0 dist 9.52936 8.97589 9.68365 8.22001 12.4034 3.88698 numMergedOcc 0
36 mol 184 unq 2 iso 0 dist 9.52936 5.96423 11.6883 9.84566 4.11581 9.71065 numMergedOcc 0
37 mol 184 unq 3 iso 0 dist 9.52936 5.96423 11.6883 8.22001 12.4034 3.30691 numMergedOcc 0
38 mol 188 unq 0 iso 0 dist 6.90541 7.88013 6.39872 7.86092 4.61059 3.42559 numMergedOcc 0
39 mol 188 unq 1 iso 0 dist 6.90541 9.90062 8.81694 7.86092 4.61059 6.93096 numMergedOcc 0
40 mol 213 unq 0 iso 0 dist 6.0965 8.21793 4.31175 8.82761 14.229 14.4808 numMergedOcc 0
41 mol 213 unq 1 iso 0 dist 9.59129 8.21793 4.89372 8.82761 14.9475 14.4808 numMergedOcc 0
42 mol 218 unq 0 iso 0 dist 8.53199 7.33709 11.6662 7.84952 6.19774 13.5381 numMergedOcc 0
43 mol 219 unq 0 iso 0 dist 4.87541 4.33238 3.78261 9.64116 5.88671 8.59843 numMergedOcc 0
44 mol 241 unq 0 iso 0 dist 6.83797 7.95042 12.0248 7.52531 7.5936 6.7194 numMergedOcc 0
45 mol 248 unq 0 iso 0 dist 8.50864 9.05018 13.1523 7.79063 4.40718 9.81612 numMergedOcc 0
46 mol 257 unq 0 iso 0 dist 7.14834 8.83833 10.0311 9.6834 4.46167 9.14227 numMergedOcc 0
47 mol 277 unq 0 iso 0 dist 9.41725 9.35539 7.07508 4.9764 13.6468 13.2853 numMergedOcc 0
48 mol 277 unq 1 iso 0 dist 9.41725 9.35539 7.07508 6.36559 13.3297 12.4985 numMergedOcc 0
49 mol 277 unq 2 iso 0 dist 9.41725 8.9682 18.3854 4.9764 13.6468 5.9732 numMergedOcc 0
50 mol 277 unq 3 iso 0 dist 9.41725 8.9682 18.3854 6.36559 13.3297 8.61922 numMergedOcc 0
51 mol 277 unq 4 iso 0 dist 9.41725 6.92711 16.1088 4.9764 13.6468 3.79766 numMergedOcc 0
52 mol 277 unq 5 iso 0 dist 9.41725 6.92711 16.1088 6.36559 13.3297 7.07613 numMergedOcc 0
