0 mol 20 unq 0 iso 0 dist 9.11216 13.1494 9.6259 6.05786 9.55686 14.7264 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 6.29578 5.86076 6.29237 7.58687 9.74724 12.9564 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 6.29578 5.86076 6.29237 5.14626 9.13347 10.9428 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 6.29578 8.72513 9.24286 7.58687 9.74724 15.7788 numMergedOcc 0
4 mol 20 unq 4 iso 0 dist 6.29578 8.72513 9.24286 5.14626 9.13347 13.8245 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 5.6738 7.16792 6.41507 10.3017 8.46167 13.3691 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 5.6738 7.16792 6.41507 10.3632 6.13175 12.277 numMergedOcc 0
7 mol 113 unq 2 iso 0 dist 5.6738 7.16792 6.41507 9.86085 4.34107 9.60282 numMergedOcc 0
8 mol 113 unq 3 iso 0 dist 5.6738 7.6316 6.03035 10.3017 8.46167 9.59189 numMergedOcc 0
9 mol 113 unq 4 iso 0 dist 5.6738 7.6316 6.03035 10.3632 6.13175 10.1118 numMergedOcc 0
10 mol 113 unq 5 iso 0 dist 5.6738 7.6316 6.03035 9.86085 4.34107 8.19901 numMergedOcc 0
11 mol 135 unq 0 iso 0 dist 9.53367 8.47361 5.27399 13.4186 7.74087 4.98191 numMergedOcc 0
12 mol 135 unq 1 iso 0 dist 9.53367 8.47361 5.27399 4.70352 8.53533 5.0759 numMergedOcc 0
13 mol 135 unq 2 iso 0 dist 9.53367 9.12064 5.72277 13.4186 7.74087 5.83178 numMergedOcc 0
14 mol 135 unq 3 iso 0 dist 9.53367 9.12064 5.72277 4.70352 8.53533 5.9306 numMergedOcc 0
15 mol 135 unq 4 iso 0 dist 9.53367 11.3276 9.79769 13.4186 7.74087 7.56148 numMergedOcc 0
16 mol 135 unq 5 iso 0 dist 9.53367 11.3276 9.79769 4.70352 8.53533 8.3336 numMergedOcc 0
17 mol 197 unq 0 iso 0 dist 5.97267 5.94706 9.44911 9.17181 9.10527 15.073 numMergedOcc 0
18 mol 197 unq 1 iso 0 dist 8.80739 13.712 9.44911 6.10739 9.10527 15.073 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 8.93788 12.6556 9.0654 8.51059 8.53393 12.9532 numMergedOcc 0
20 mol 266 unq 1 iso 0 dist 8.93788 12.6556 9.0654 7.79913 7.24165 13.7026 numMergedOcc 0
21 mol 270 unq 0 iso 0 dist 9.30854 7.46588 6.30711 7.76867 6.85081 3.30547 numMergedOcc 0
22 mol 270 unq 1 iso 0 dist 5.5609 4.73191 6.30711 3.9827 6.85081 3.30547 numMergedOcc 0
23 mol 270 unq 2 iso 0 dist 7.7975 5.44817 6.30711 8.63373 6.85081 3.30547 numMergedOcc 0
24 mol 285 unq 0 iso 0 dist 7.06369 9.68392 5.087 6.4415 7.8605 11.9635 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 7.64453 14.1553 9.62446 15.6386 8.70479 11.4704 numMergedOcc 0
26 mol 287 unq 1 iso 0 dist 7.64453 4.60276 9.99681 15.6386 8.70479 16.9251 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 7.64453 14.1553 9.62446 15.6386 8.70479 11.4704 numMergedOcc 0
28 mol 288 unq 1 iso 0 dist 7.64453 4.60276 9.99681 15.6386 8.70479 16.9251 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 7.64453 14.1553 9.62446 15.6386 8.70479 11.4704 numMergedOcc 0
30 mol 289 unq 1 iso 0 dist 7.64453 4.60276 9.99681 15.6386 8.70479 16.9251 numMergedOcc 0
