0 mol 64 unq 0 iso 0 dist 8.99491 11.1165 9.10915 11.844 9.21892 7.02352 numMergedOcc 0
1 mol 67 unq 0 iso 0 dist 8.65898 7.33586 6.99398 11.6596 4.52996 7.96 numMergedOcc 0
2 mol 67 unq 1 iso 0 dist 8.65898 13.1954 8.64208 16.0432 7.99329 7.9572 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 8.04256 5.00567 6.87176 12.2463 10.2272 7.45675 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 7.51075 12.5342 6.87176 16.2868 10.2272 7.45675 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 8.91902 5.57378 8.31114 12.0624 5.93342 9.68285 numMergedOcc 0
6 mol 71 unq 0 iso 0 dist 8.85372 13.9588 8.21553 15.3701 7.16971 8.22762 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 8.2377 7.98579 4.24428 12.864 5.7113 6.30194 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 6.18305 7.53682 6.30194 9.43662 5.7113 4.24428 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 9.35868 5.58465 7.44784 13.3494 11.5723 9.56867 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 4.98864 9.35695 9.56867 14.1021 11.5723 7.44784 numMergedOcc 0
11 mol 115 unq 2 iso 0 dist 7.95871 11.703 9.56867 17.0624 11.5723 7.44784 numMergedOcc 0
12 mol 127 unq 0 iso 0 dist 9.42513 5.88232 8.62711 10.0998 7.30196 6.65963 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 9.60411 10.6313 5.67862 14.0674 5.00817 7.97208 numMergedOcc 0
14 mol 162 unq 0 iso 0 dist 9.97921 12.2516 9.89142 12.6002 10.4637 8.06091 numMergedOcc 0
15 mol 185 unq 0 iso 0 dist 9.878 14.5353 9.59096 20.5716 13.2477 9.03315 numMergedOcc 0
16 mol 185 unq 1 iso 0 dist 9.21149 9.5349 9.59096 17.3997 13.2477 9.03315 numMergedOcc 0
17 mol 212 unq 0 iso 0 dist 5.87223 10.1355 7.87125 9.90588 4.12932 9.1384 numMergedOcc 0
18 mol 212 unq 1 iso 0 dist 8.062 7.5418 7.87125 10.355 4.12932 9.1384 numMergedOcc 0
19 mol 212 unq 2 iso 0 dist 8.70011 11.1789 7.87125 12.6486 4.12932 9.1384 numMergedOcc 0
20 mol 236 unq 0 iso 0 dist 8.90987 7.84468 9.97357 11.2664 7.28249 6.36941 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 9.94315 15.8036 7.98022 22.3479 13.0839 8.89538 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 8.59074 12.1988 7.98022 19.1996 13.0839 8.89538 numMergedOcc 0
23 mol 238 unq 2 iso 0 dist 6.2365 6.12122 7.98022 13.4809 13.0839 8.89538 numMergedOcc 0
24 mol 272 unq 0 iso 0 dist 9.96394 12.1122 4.78812 13.3211 5.40809 6.62923 numMergedOcc 0
