0 mol 24 unq 0 iso 0 dist 6.36381 5.80023 7.27472 13.5984 10.4353 9.12854 9.49646 3.73215 8.87744 9.86385 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.27137 5.59268 4.79873 11.6272 5.46578 6.16347 13.4236 12.7147 9.48085 9.62058 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.27137 5.59268 4.79873 7.05148 11.0175 7.92503 13.4236 12.7147 9.48085 10.2758 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 9.70292 5.69671 8.57395 9.49995 5.88327 9.49454 12.0576 11.734 8.27883 15.7954 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 9.70292 5.69671 8.57395 9.49995 5.88327 9.49454 10.4457 6.95874 5.75428 10.4348 numMergedOcc 0
5 mol 95 unq 2 iso 0 dist 9.70292 5.69671 8.57395 9.49995 5.88327 9.49454 9.59704 9.43547 9.85409 3.96826 numMergedOcc 0
6 mol 95 unq 3 iso 0 dist 9.59704 5.69671 9.85409 9.49995 3.96826 9.49454 12.0576 17.4304 8.27883 15.7954 numMergedOcc 0
7 mol 95 unq 4 iso 0 dist 9.59704 5.69671 9.85409 9.49995 3.96826 9.49454 10.4457 12.3063 5.75428 10.4348 numMergedOcc 0
8 mol 95 unq 5 iso 0 dist 9.59704 5.69671 9.85409 9.49995 3.96826 9.49454 9.70292 9.43547 8.57395 5.88327 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 5.33961 12.7318 7.54889 8.55509 3.92737 4.47349 10.5543 6.70343 5.2571 3.94967 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 5.33961 12.3835 7.78931 8.55509 3.92737 5.65185 10.5543 6.70343 8.7497 3.94967 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 8.3505 11.3628 5.2571 10.9995 3.94967 4.47349 14.2657 6.70343 7.54889 3.92737 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 8.3505 13.9599 8.7497 10.9995 3.94967 5.65185 14.2657 6.70343 7.78931 3.92737 numMergedOcc 0
13 mol 98 unq 4 iso 0 dist 9.29816 14.676 7.54889 12.4401 3.92737 4.47349 12.9554 6.70343 5.2571 3.94967 numMergedOcc 0
14 mol 98 unq 5 iso 0 dist 9.29816 16.3389 7.78931 12.4401 3.92737 5.65185 12.9554 6.70343 8.7497 3.94967 numMergedOcc 0
15 mol 98 unq 6 iso 0 dist 5.08983 7.1452 7.54889 5.94696 3.92737 4.47349 9.58039 6.70343 5.2571 3.94967 numMergedOcc 0
16 mol 98 unq 7 iso 0 dist 5.08983 4.96747 7.78931 5.94696 3.92737 5.65185 9.58039 6.70343 8.7497 3.94967 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 8.78303 6.36794 8.69531 11.9876 6.93712 9.94764 10.6236 5.83782 9.1998 11.5269 numMergedOcc 0
18 mol 167 unq 0 iso 0 dist 8.77904 7.91498 9.2289 9.14629 8.91275 9.67741 11.1687 9.25262 7.20495 5.43662 numMergedOcc 0
19 mol 167 unq 1 iso 0 dist 8.77904 7.91498 9.2289 9.14629 8.91275 9.67741 6.48993 3.55199 7.02548 5.95858 numMergedOcc 0
20 mol 167 unq 2 iso 0 dist 6.48993 7.91498 7.02548 9.14629 5.95858 9.67741 11.1687 6.81449 7.20495 5.43662 numMergedOcc 0
21 mol 167 unq 3 iso 0 dist 6.48993 7.91498 7.02548 9.14629 5.95858 9.67741 8.77904 3.55199 9.2289 8.91275 numMergedOcc 0
22 mol 184 unq 0 iso 0 dist 8.27396 4.41193 5.96423 8.95598 4.67256 6.42735 10.1839 5.33725 8.97589 3.7949 numMergedOcc 0
23 mol 223 unq 0 iso 0 dist 9.6936 8.78003 9.33543 7.81769 3.86668 7.48463 14.1948 12.841 6.42257 10.5752 numMergedOcc 0
24 mol 223 unq 1 iso 0 dist 9.36733 5.33327 9.33543 7.66694 3.86668 7.48463 11.4037 12.841 6.42257 10.5752 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 4.95855 5.41945 5.85442 8.90398 4.47425 7.08526 7.72489 3.51848 6.95511 4.10176 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 7.72489 5.41945 6.95511 8.90398 4.10176 7.08526 4.95855 3.51848 5.85442 4.47425 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 5.72473 8.04474 7.20674 13.7647 13.8094 7.07965 12.7549 9.14614 8.38121 13.8468 numMergedOcc 0
