0 mol 10 unq 0 iso 0 dist 9.48775 5.88107 9.78153 12.0181 6.05338 12.1866 numMergedOcc 0
1 mol 13 unq 0 iso 0 dist 8.2164 5.15437 8.12105 8.7932 6.80105 10.6215 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 8.71324 10.7791 8.86433 11.0644 7.72437 7.71161 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 9.5663 12.0987 5.66803 11.197 8.61926 4.56868 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 7.70037 5.65257 8.70964 8.3355 5.29487 10.6503 numMergedOcc 0
5 mol 69 unq 1 iso 0 dist 7.96207 13.133 8.70964 6.60943 5.29487 10.6503 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 7.40582 15.2733 8.15664 10.4931 6.00131 6.85223 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 9.18707 10.4327 8.80824 10.0279 8.81198 5.13314 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 9.18707 5.31483 9.67606 10.0279 8.81198 6.8882 numMergedOcc 0
9 mol 165 unq 0 iso 0 dist 7.22838 5.97663 6.85551 13.2131 8.4082 10.9999 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 9.5214 4.12631 8.72323 5.31253 9.16691 5.9767 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.35708 12.3139 9.2254 7.35928 5.80433 11.9365 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 9.35708 12.3139 9.2254 12.1373 6.8285 13.7178 numMergedOcc 0
13 mol 187 unq 0 iso 0 dist 9.55621 9.61673 5.58167 13.4754 6.56642 6.47437 numMergedOcc 0
14 mol 187 unq 1 iso 0 dist 9.55621 9.61673 5.58167 5.11961 7.9625 10.7843 numMergedOcc 0
15 mol 187 unq 2 iso 0 dist 9.55621 12.9459 8.0501 13.4754 6.56642 7.95559 numMergedOcc 0
16 mol 187 unq 3 iso 0 dist 9.55621 12.9459 8.0501 5.11961 7.9625 9.27977 numMergedOcc 0
17 mol 189 unq 0 iso 0 dist 9.36549 5.42089 6.77641 7.24071 4.96433 5.88642 numMergedOcc 0
18 mol 189 unq 1 iso 0 dist 9.36549 9.94975 7.54658 7.24071 4.96433 4.8442 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 6.58174 10.9794 6.20044 4.71843 9.01377 13.2711 numMergedOcc 0
20 mol 204 unq 1 iso 0 dist 6.58174 9.00243 8.41232 4.71843 9.01377 10.5475 numMergedOcc 0
21 mol 226 unq 0 iso 0 dist 6.3687 4.52889 8.74399 11.8345 7.45381 12.3027 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 8.49961 13.284 8.48545 5.89364 9.51945 9.75577 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 9.46926 4.95934 8.8646 8.76358 5.45375 8.73313 numMergedOcc 0
24 mol 266 unq 1 iso 0 dist 9.46926 4.95934 8.8646 10.6001 9.9145 13.3737 numMergedOcc 0
25 mol 273 unq 0 iso 0 dist 7.29081 12.2394 5.78262 9.70951 6.59786 8.67797 numMergedOcc 0
26 mol 273 unq 1 iso 0 dist 7.29081 12.2394 5.78262 5.35494 7.96519 13.2599 numMergedOcc 0
27 mol 273 unq 2 iso 0 dist 7.29081 7.5139 7.6489 9.70951 6.59786 9.47855 numMergedOcc 0
28 mol 273 unq 3 iso 0 dist 7.29081 7.5139 7.6489 5.35494 7.96519 10.9195 numMergedOcc 0
29 mol 281 unq 0 iso 0 dist 6.81536 9.38089 7.65321 6.38923 7.82968 5.9708 numMergedOcc 0
30 mol 281 unq 1 iso 0 dist 9.89425 5.70549 7.65321 10.2743 7.82968 5.9708 numMergedOcc 0
31 mol 285 unq 0 iso 0 dist 4.49395 9.47966 7.872 12.0595 7.61398 9.51445 numMergedOcc 0
32 mol 285 unq 1 iso 0 dist 4.49395 6.49869 6.32984 12.0595 7.61398 11.5961 numMergedOcc 0
