0 mol 20 unq 0 iso 0 dist 4.15066 7.50142 7.69558 4.90352 7.11633 11.703 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 4.15066 6.4074 8.3037 4.90352 7.11633 9.39046 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.83402 5.70349 4.11406 14.4516 8.88413 12.3239 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.83402 5.70349 4.11406 13.2677 9.87281 11.272 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 8.83402 5.70349 4.11406 13.7276 7.63928 9.90362 numMergedOcc 0
5 mol 44 unq 0 iso 0 dist 7.20409 9.12595 4.1456 9.7651 9.96265 14.0332 numMergedOcc 0
6 mol 44 unq 1 iso 0 dist 5.93729 9.12595 6.87676 9.7651 9.70459 14.0332 numMergedOcc 0
7 mol 62 unq 0 iso 0 dist 4.85282 6.93243 3.54604 4.05764 8.1599 10.0117 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 8.25884 5.58724 11.0834 5.82571 8.04256 10.8691 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 4.90449 9.12113 6.33908 7.79347 7.91337 14.1442 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 4.90449 9.12113 6.33908 6.77381 6.40546 11.0532 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 8.22824 7.77458 14.5158 8.04019 9.60369 10.3467 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 8.22824 7.77458 14.5158 11.4517 9.55556 13.0397 numMergedOcc 0
13 mol 171 unq 0 iso 0 dist 8.30819 6.07578 12.3288 10.3893 6.07091 15.4307 numMergedOcc 0
14 mol 176 unq 0 iso 0 dist 6.55106 8.27087 4.57491 7.68038 7.30954 6.32146 numMergedOcc 0
15 mol 176 unq 1 iso 0 dist 8.08891 7.71329 4.57491 4.68256 7.30954 6.32146 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 6.50591 6.24316 3.76066 4.8193 7.75084 8.95821 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 6.17749 6.70789 6.37759 12.5625 7.85877 14.0597 numMergedOcc 0
18 mol 229 unq 0 iso 0 dist 8.17234 5.82844 10.8457 12.61 8.6537 13.6805 numMergedOcc 0
19 mol 229 unq 1 iso 0 dist 8.17234 5.82844 10.8457 12.7466 8.75374 15.8096 numMergedOcc 0
20 mol 229 unq 2 iso 0 dist 8.17234 5.82844 10.8457 11.0366 7.10634 15.8054 numMergedOcc 0
21 mol 229 unq 3 iso 0 dist 8.17234 5.82844 10.8457 6.23286 5.57702 9.68456 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 8.15743 7.68603 4.30202 9.88635 7.70279 11.1543 numMergedOcc 0
23 mol 232 unq 1 iso 0 dist 8.15743 7.68603 4.30202 5.08111 9.29752 10.8158 numMergedOcc 0
24 mol 243 unq 0 iso 0 dist 5.1766 7.37305 8.85393 6.54531 6.86162 13.4958 numMergedOcc 0
25 mol 251 unq 0 iso 0 dist 5.34851 4.63025 3.43331 5.60154 8.39644 9.207 numMergedOcc 0
26 mol 252 unq 0 iso 0 dist 9.01177 8.16181 4.28835 11.5884 6.1197 10.2081 numMergedOcc 0
