0 mol 1 unq 0 iso 0 dist 8.47429 8.93702 9.45781 5.99543 12.7552 8.56884 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.98901 6.16125 4.48817 6.3236 11.2754 7.31201 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.98901 9.34656 5.9201 15.0884 9.67996 6.36911 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 8.98901 9.34656 5.9201 6.3236 11.2754 9.36807 numMergedOcc 0
4 mol 18 unq 0 iso 0 dist 9.12848 8.25905 4.49033 7.43559 11.7139 8.52106 numMergedOcc 0
5 mol 18 unq 1 iso 0 dist 9.12848 8.25905 4.49033 10.1793 9.38772 6.32451 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 9.90242 5.97065 5.88467 7.89671 14.6855 8.82012 numMergedOcc 0
7 mol 26 unq 1 iso 0 dist 9.90242 5.97065 5.88467 10.1933 10.2329 9.16962 numMergedOcc 0
8 mol 26 unq 2 iso 0 dist 9.07029 5.97065 6.66387 7.89671 14.5062 8.82012 numMergedOcc 0
9 mol 26 unq 3 iso 0 dist 9.07029 5.97065 6.66387 10.1933 6.88695 9.16962 numMergedOcc 0
10 mol 70 unq 0 iso 0 dist 9.2794 8.06918 11.9871 9.17087 14.7158 8.33704 numMergedOcc 0
11 mol 70 unq 1 iso 0 dist 9.2794 8.06918 11.9871 5.33532 13.5946 7.92394 numMergedOcc 0
12 mol 70 unq 2 iso 0 dist 9.2794 7.52623 9.5704 5.33532 13.5946 9.93423 numMergedOcc 0
13 mol 70 unq 3 iso 0 dist 9.2794 5.62294 10.9277 5.33532 13.5946 9.34122 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 6.82522 6.47401 4.41983 7.94986 8.69069 8.67367 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 7.11556 9.9443 7.62048 5.82808 10.9136 9.39469 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 7.11556 9.9443 7.62048 10.2548 10.9561 4.76815 numMergedOcc 0
17 mol 100 unq 2 iso 0 dist 6.15185 9.9443 8.44086 5.82808 10.4267 9.39469 numMergedOcc 0
18 mol 100 unq 3 iso 0 dist 6.15185 9.9443 8.44086 10.2548 11.319 4.76815 numMergedOcc 0
19 mol 126 unq 0 iso 0 dist 8.7347 6.35364 4.56139 8.50279 8.32241 7.75534 numMergedOcc 0
20 mol 126 unq 1 iso 0 dist 8.7347 6.35364 4.56139 5.68478 11.9998 9.06011 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 5.63173 9.59094 6.2062 11.0811 10.8427 7.92688 numMergedOcc 0
22 mol 167 unq 0 iso 0 dist 9.08229 9.4422 10.9873 12.4033 15.1956 8.62646 numMergedOcc 0
23 mol 167 unq 1 iso 0 dist 7.99057 9.4422 12.2296 12.4033 18.7619 8.62646 numMergedOcc 0
24 mol 194 unq 0 iso 0 dist 8.40769 9.20864 10.2713 13.9921 17.141 6.95408 numMergedOcc 0
25 mol 194 unq 1 iso 0 dist 8.40769 9.20864 10.2713 10.0058 16.7064 9.57538 numMergedOcc 0
26 mol 194 unq 2 iso 0 dist 8.40769 9.20864 10.2713 7.93019 14.3261 9.2285 numMergedOcc 0
27 mol 194 unq 3 iso 0 dist 8.40769 9.20864 10.2713 5.58057 10.2342 7.58278 numMergedOcc 0
28 mol 197 unq 0 iso 0 dist 8.22331 6.58245 4.40086 14.8922 11.8137 8.99696 numMergedOcc 0
29 mol 204 unq 0 iso 0 dist 6.32064 8.87757 7.23312 11.4265 12.6793 9.59333 numMergedOcc 0
30 mol 204 unq 1 iso 0 dist 5.29176 8.87757 7.96412 11.4265 14.3831 9.59333 numMergedOcc 0
31 mol 209 unq 0 iso 0 dist 6.3344 5.20111 4.45815 5.35615 10.2865 9.52027 numMergedOcc 0
32 mol 220 unq 0 iso 0 dist 9.39546 5.13604 4.8744 4.8419 12.2768 7.61951 numMergedOcc 0
33 mol 220 unq 1 iso 0 dist 4.17978 5.13604 3.90017 4.8419 7.16386 7.61951 numMergedOcc 0
34 mol 233 unq 0 iso 0 dist 8.36772 5.34745 8.95188 11.2101 18.106 9.43203 numMergedOcc 0
35 mol 233 unq 1 iso 0 dist 8.83541 5.34745 5.19341 11.2101 11.6036 9.43203 numMergedOcc 0
36 mol 233 unq 2 iso 0 dist 7.55878 5.34745 5.3674 11.2101 12.7167 9.43203 numMergedOcc 0
37 mol 233 unq 3 iso 0 dist 4.91191 7.99897 5.3674 11.5105 12.7167 9.43203 numMergedOcc 0
38 mol 233 unq 4 iso 0 dist 7.89581 8.98366 5.19341 6.54297 11.6036 9.43203 numMergedOcc 0
39 mol 234 unq 0 iso 0 dist 5.65943 7.54327 4.21173 5.28657 7.46434 6.16063 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 6.91126 6.43838 5.85485 5.06584 9.80261 5.65339 numMergedOcc 0
41 mol 235 unq 1 iso 0 dist 6.91126 9.24964 14.9183 6.70342 9.11256 9.58736 numMergedOcc 0
42 mol 235 unq 2 iso 0 dist 6.91126 9.24964 14.9183 6.38281 12.8963 9.43058 numMergedOcc 0
43 mol 235 unq 3 iso 0 dist 6.91126 9.24964 14.9183 10.6146 17.4969 8.75735 numMergedOcc 0
44 mol 235 unq 4 iso 0 dist 6.91126 9.24964 14.9183 14.8599 20.3048 6.98084 numMergedOcc 0
45 mol 235 unq 5 iso 0 dist 6.91126 9.24964 14.9183 16.2392 22.1086 7.32211 numMergedOcc 0
46 mol 235 unq 6 iso 0 dist 9.48967 6.43838 15.6099 5.06584 13.3861 5.65339 numMergedOcc 0
47 mol 235 unq 7 iso 0 dist 9.48967 9.24964 4.28284 6.70342 7.08539 9.58736 numMergedOcc 0
48 mol 235 unq 8 iso 0 dist 9.48967 9.24964 4.28284 6.38281 11.3151 9.43058 numMergedOcc 0
49 mol 235 unq 9 iso 0 dist 9.48967 9.24964 4.28284 10.6146 12.206 8.75735 numMergedOcc 0
50 mol 235 unq 10 iso 0 dist 9.48967 9.24964 4.28284 14.8599 10.3464 6.98084 numMergedOcc 0
51 mol 235 unq 11 iso 0 dist 9.48967 9.24964 4.28284 16.2392 9.4144 7.32211 numMergedOcc 0
52 mol 235 unq 12 iso 0 dist 6.43002 5.71896 4.28284 6.01036 7.08539 9.58736 numMergedOcc 0
53 mol 235 unq 13 iso 0 dist 6.43002 5.71896 4.28284 4.99641 11.3151 9.43058 numMergedOcc 0
54 mol 235 unq 14 iso 0 dist 6.43002 5.71896 4.28284 7.72505 12.206 8.75735 numMergedOcc 0
55 mol 235 unq 15 iso 0 dist 6.43002 5.71896 4.28284 12.2179 10.3464 6.98084 numMergedOcc 0
56 mol 235 unq 16 iso 0 dist 6.43002 5.71896 4.28284 11.7282 9.4144 7.32211 numMergedOcc 0
57 mol 238 unq 0 iso 0 dist 5.41373 6.89216 5.98329 11.0676 11.7348 6.91569 numMergedOcc 0
58 mol 247 unq 0 iso 0 dist 6.35578 6.34304 4.32191 8.49616 10.5086 6.6838 numMergedOcc 0
59 mol 248 unq 0 iso 0 dist 8.4908 7.96942 8.23532 7.63032 13.9803 8.50864 numMergedOcc 0
