0 mol 17 unq 0 iso 0 dist 7.77517 7.38683 6.75648 8.06467 8.07089 11.1781 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 7.77517 8.15728 13.06 8.06467 8.07089 6.75316 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 7.82972 8.73406 6.31576 7.87273 6.8668 8.70414 numMergedOcc 0
3 mol 45 unq 1 iso 0 dist 7.82972 9.97144 14.339 7.87273 6.8668 9.93835 numMergedOcc 0
4 mol 120 unq 0 iso 0 dist 6.68587 6.7304 8.94259 8.13828 8.2619 4.51697 numMergedOcc 0
5 mol 180 unq 0 iso 0 dist 8.97852 9.99005 7.61093 8.33319 5.67701 6.93569 numMergedOcc 0
6 mol 224 unq 0 iso 0 dist 8.26029 6.28968 7.96998 9.96809 11.5752 11.3024 numMergedOcc 0
7 mol 224 unq 1 iso 0 dist 8.26029 8.22544 4.78136 9.96809 11.5752 10.2402 numMergedOcc 0
8 mol 248 unq 0 iso 0 dist 8.32148 9.41845 5.59351 8.33005 4.30004 9.5697 numMergedOcc 0
9 mol 267 unq 0 iso 0 dist 9.1753 8.21258 7.11419 6.83507 9.14203 10.0939 numMergedOcc 0
10 mol 267 unq 1 iso 0 dist 9.1753 9.04247 7.80033 6.83507 9.14203 9.97053 numMergedOcc 0
11 mol 274 unq 0 iso 0 dist 7.55296 9.39854 6.48193 9.49504 6.09457 10.6641 numMergedOcc 0
12 mol 274 unq 1 iso 0 dist 7.55296 9.39854 6.48193 8.74304 8.94581 4.10903 numMergedOcc 0
13 mol 274 unq 2 iso 0 dist 7.55296 7.53577 7.18301 9.49504 6.09457 6.34923 numMergedOcc 0
14 mol 274 unq 3 iso 0 dist 7.55296 7.53577 7.18301 8.74304 8.94581 6.11836 numMergedOcc 0
15 mol 287 unq 0 iso 0 dist 8.45131 8.1644 15.4698 5.72538 13.2859 4.481 numMergedOcc 0
16 mol 287 unq 1 iso 0 dist 8.45131 9.31742 13.9278 5.72538 13.2859 12.237 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 8.45131 8.1644 15.4698 5.72538 13.2859 4.481 numMergedOcc 0
18 mol 288 unq 1 iso 0 dist 8.45131 9.31742 13.9278 5.72538 13.2859 12.237 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 8.45131 8.1644 15.4698 5.72538 13.2859 4.481 numMergedOcc 0
20 mol 289 unq 1 iso 0 dist 8.45131 9.31742 13.9278 5.72538 13.2859 12.237 numMergedOcc 0
