0 mol 24 unq 0 iso 0 dist 6.36381 5.80023 7.27472 13.5984 10.4353 9.12854 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 5.77745 5.8503 7.05196 8.78181 3.904 8.87757 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.27137 5.59268 4.79873 11.6272 5.46578 6.16347 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 8.27137 5.59268 4.79873 7.05148 11.0175 7.92503 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.54368 5.1219 7.13008 10.2815 6.26082 5.37007 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 9.70292 5.69671 8.57395 9.49995 5.88327 9.49454 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 9.59704 5.69671 9.85409 9.49995 3.96826 9.49454 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 5.33961 11.1668 9.64383 12.3507 12.82 7.23884 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 5.33961 12.7318 7.54889 8.55509 3.92737 4.47349 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 5.33961 12.3835 7.78931 8.55509 3.92737 5.65185 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 8.3505 4.75138 5.10496 10.9995 3.94967 6.7117 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 8.3505 11.3628 5.2571 10.9995 3.94967 4.47349 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 8.3505 13.9599 8.7497 10.9995 3.94967 5.65185 numMergedOcc 0
13 mol 98 unq 6 iso 0 dist 9.29816 5.70962 9.64383 10.3384 12.82 7.23884 numMergedOcc 0
14 mol 98 unq 7 iso 0 dist 9.29816 14.676 7.54889 12.4401 3.92737 4.47349 numMergedOcc 0
15 mol 98 unq 8 iso 0 dist 9.29816 16.3389 7.78931 12.4401 3.92737 5.65185 numMergedOcc 0
16 mol 98 unq 9 iso 0 dist 5.08983 10.1978 9.64383 12.2703 12.82 7.23884 numMergedOcc 0
17 mol 98 unq 10 iso 0 dist 5.08983 7.1452 7.54889 5.94696 3.92737 4.47349 numMergedOcc 0
18 mol 98 unq 11 iso 0 dist 5.08983 4.96747 7.78931 5.94696 3.92737 5.65185 numMergedOcc 0
19 mol 113 unq 0 iso 0 dist 6.12348 14.0364 8.80934 9.09263 7.1951 8.8822 numMergedOcc 0
20 mol 113 unq 1 iso 0 dist 6.12348 14.0364 8.80934 5.37302 3.84573 9.66219 numMergedOcc 0
21 mol 113 unq 2 iso 0 dist 7.2672 12.1308 8.80934 10.1107 7.1951 8.8822 numMergedOcc 0
22 mol 113 unq 3 iso 0 dist 7.2672 12.1308 8.80934 8.47541 3.84573 9.66219 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 8.78303 11.9294 9.33094 11.9876 6.93712 6.23142 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 8.78303 6.36794 8.69531 11.9876 6.93712 9.94764 numMergedOcc 0
25 mol 167 unq 0 iso 0 dist 8.77904 7.91498 9.2289 9.14629 8.91275 9.67741 numMergedOcc 0
26 mol 167 unq 1 iso 0 dist 6.48993 7.91498 7.02548 9.14629 5.95858 9.67741 numMergedOcc 0
27 mol 168 unq 0 iso 0 dist 7.30338 12.1014 6.02086 8.90876 4.02702 7.44629 numMergedOcc 0
28 mol 184 unq 0 iso 0 dist 8.27396 4.41193 5.96423 8.95598 4.67256 6.42735 numMergedOcc 0
29 mol 204 unq 0 iso 0 dist 6.14128 4.30341 5.94972 10.049 4.15888 9.1458 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 6.41148 4.2475 6.49765 7.23557 9.86388 4.8668 numMergedOcc 0
31 mol 205 unq 1 iso 0 dist 5.06713 6.8901 6.49765 8.86587 9.86388 4.8668 numMergedOcc 0
32 mol 219 unq 0 iso 0 dist 6.52136 5.0241 4.33238 7.13099 5.75906 7.59632 numMergedOcc 0
33 mol 223 unq 0 iso 0 dist 9.6936 8.78003 9.33543 7.81769 3.86668 7.48463 numMergedOcc 0
34 mol 223 unq 1 iso 0 dist 9.36733 5.33327 9.33543 7.66694 3.86668 7.48463 numMergedOcc 0
35 mol 238 unq 0 iso 0 dist 7.13727 12.521 9.72188 20.4128 17.1065 9.24557 numMergedOcc 0
36 mol 238 unq 1 iso 0 dist 8.56975 9.18011 9.72188 16.6167 17.1065 9.24557 numMergedOcc 0
37 mol 259 unq 0 iso 0 dist 4.95855 5.41945 5.85442 8.90398 4.47425 7.08526 numMergedOcc 0
38 mol 259 unq 1 iso 0 dist 7.72489 12.1767 9.46361 8.90398 4.10176 7.98231 numMergedOcc 0
39 mol 259 unq 2 iso 0 dist 7.72489 5.41945 6.95511 8.90398 4.10176 7.08526 numMergedOcc 0
40 mol 292 unq 0 iso 0 dist 7.78796 6.94727 9.74118 6.60049 3.92782 9.88863 numMergedOcc 0
41 mol 292 unq 1 iso 0 dist 5.72473 8.04474 7.20674 13.7647 13.8094 7.07965 numMergedOcc 0
