0 mol 7 unq 0 iso 0 dist 6.8464 5.0893 8.41585 10.1033 7.78327 13.5229 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.0319 11.4109 6.86014 4.19221 7.49157 8.66248 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.0319 11.4109 6.86014 6.17633 7.73794 6.73521 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 9.80897 12.8257 8.34347 4.28862 7.98005 12.5438 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 9.80897 12.8257 8.34347 4.93643 8.31381 8.39015 numMergedOcc 0
5 mol 26 unq 2 iso 0 dist 8.37225 8.70636 8.34347 5.34503 7.98005 12.5438 numMergedOcc 0
6 mol 26 unq 3 iso 0 dist 8.37225 8.70636 8.34347 4.74002 8.31381 8.39015 numMergedOcc 0
7 mol 34 unq 0 iso 0 dist 7.78892 13.4993 9.24927 9.30664 9.99939 19.1023 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.03754 14.0204 8.80331 3.83842 9.02471 12.6657 numMergedOcc 0
9 mol 43 unq 1 iso 0 dist 8.03754 13.1056 6.20293 3.83842 9.02471 14.0654 numMergedOcc 0
10 mol 59 unq 0 iso 0 dist 9.75265 5.03467 8.95999 10.4919 8.30217 9.65136 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 8.4143 13.7926 9.78528 3.63735 6.62699 10.7434 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 9.41049 4.60412 5.93252 4.40015 9.10566 3.85805 numMergedOcc 0
13 mol 78 unq 0 iso 0 dist 5.68286 5.73349 7.9245 7.92963 7.69072 3.46486 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 9.67557 6.53819 7.95579 4.21164 8.04242 5.76272 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 9.67557 9.9705 6.19965 4.21164 8.04242 8.18948 numMergedOcc 0
16 mol 85 unq 2 iso 0 dist 9.67557 15.3279 7.66905 4.21164 8.04242 14.113 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 7.11695 14.4144 9.33898 4.56304 8.85601 17.4771 numMergedOcc 0
18 mol 92 unq 1 iso 0 dist 7.11695 9.54167 9.64443 4.56304 8.85601 10.2467 numMergedOcc 0
19 mol 122 unq 0 iso 0 dist 8.75778 9.00329 8.37808 6.39355 4.42563 7.90729 numMergedOcc 0
20 mol 129 unq 0 iso 0 dist 8.00624 15.4586 8.54584 6.61102 7.97548 12.5321 numMergedOcc 0
21 mol 129 unq 1 iso 0 dist 8.00624 15.4586 8.54584 9.0678 9.64164 11.3755 numMergedOcc 0
22 mol 152 unq 0 iso 0 dist 8.41774 13.1435 8.56324 15.2106 9.00072 12.2243 numMergedOcc 0
23 mol 152 unq 1 iso 0 dist 8.41774 13.793 6.70283 15.2106 9.00072 4.73288 numMergedOcc 0
24 mol 152 unq 2 iso 0 dist 8.41774 11.2124 7.16148 15.2106 9.00072 4.70284 numMergedOcc 0
25 mol 167 unq 0 iso 0 dist 9.23645 6.45463 9.87651 11.1876 5.36671 12.8624 numMergedOcc 0
26 mol 178 unq 0 iso 0 dist 9.63185 14.4816 6.69288 11.1931 4.72821 4.69387 numMergedOcc 0
27 mol 178 unq 1 iso 0 dist 9.63185 10.2893 6.43573 11.1931 4.72821 3.70233 numMergedOcc 0
28 mol 178 unq 2 iso 0 dist 9.63185 9.7684 7.17202 11.1931 4.72821 7.39705 numMergedOcc 0
29 mol 178 unq 3 iso 0 dist 9.63185 5.37264 8.81551 11.1931 4.72821 9.77268 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 7.51951 5.04299 7.26832 11.1775 7.13783 13.3822 numMergedOcc 0
31 mol 205 unq 1 iso 0 dist 6.94789 6.98812 9.61492 10.5366 9.31158 10.8636 numMergedOcc 0
32 mol 205 unq 2 iso 0 dist 6.94789 12.019 7.45763 10.5366 9.31158 5.42503 numMergedOcc 0
33 mol 205 unq 3 iso 0 dist 6.23932 13.4557 9.61492 9.27501 9.31158 10.8636 numMergedOcc 0
34 mol 205 unq 4 iso 0 dist 6.23932 4.37383 7.45763 9.27501 9.31158 5.42503 numMergedOcc 0
35 mol 206 unq 0 iso 0 dist 8.11407 7.72969 7.7366 3.98316 4.51255 7.83734 numMergedOcc 0
36 mol 206 unq 1 iso 0 dist 8.95375 6.84704 8.02137 3.98316 6.23183 8.20841 numMergedOcc 0
37 mol 206 unq 2 iso 0 dist 8.95375 7.72969 9.774 3.98316 6.23183 7.83734 numMergedOcc 0
38 mol 206 unq 3 iso 0 dist 9.29007 12.4178 8.02137 13.2719 6.23183 8.20841 numMergedOcc 0
39 mol 206 unq 4 iso 0 dist 9.29007 9.9578 9.774 13.2719 6.23183 7.83734 numMergedOcc 0
40 mol 210 unq 0 iso 0 dist 6.13878 5.4508 6.18308 6.59517 6.85824 4.29623 numMergedOcc 0
41 mol 253 unq 0 iso 0 dist 8.82388 5.32928 7.32223 10.8478 9.19385 5.85692 numMergedOcc 0
42 mol 253 unq 1 iso 0 dist 8.82388 5.32928 7.32223 7.50228 7.14243 9.00842 numMergedOcc 0
43 mol 253 unq 2 iso 0 dist 8.82388 5.32928 7.32223 10.7148 5.77511 11.5574 numMergedOcc 0
44 mol 253 unq 3 iso 0 dist 8.82388 5.32928 7.32223 10.7198 7.81382 12.8384 numMergedOcc 0
45 mol 253 unq 4 iso 0 dist 8.82388 9.65021 8.31064 10.8478 9.19385 6.0222 numMergedOcc 0
46 mol 253 unq 5 iso 0 dist 8.82388 9.65021 8.31064 7.50228 7.14243 6.93212 numMergedOcc 0
47 mol 253 unq 6 iso 0 dist 8.82388 9.65021 8.31064 10.7148 5.77511 10.2118 numMergedOcc 0
48 mol 253 unq 7 iso 0 dist 8.82388 9.65021 8.31064 10.7198 7.81382 12.4811 numMergedOcc 0
49 mol 258 unq 0 iso 0 dist 7.69358 9.80642 6.97229 6.09845 7.12221 6.24714 numMergedOcc 0
50 mol 258 unq 1 iso 0 dist 7.69358 9.80642 6.97229 11.3756 5.4557 4.02333 numMergedOcc 0
51 mol 261 unq 0 iso 0 dist 7.00833 6.75336 8.45658 4.80385 8.24356 11.4108 numMergedOcc 0
52 mol 277 unq 0 iso 0 dist 4.81916 7.94155 9.7748 9.21484 4.9764 11.8607 numMergedOcc 0
53 mol 277 unq 1 iso 0 dist 4.81916 7.94155 9.7748 10.3506 6.36559 10.9137 numMergedOcc 0
