0 mol 34 unq 0 iso 0 dist 8.87762 8.62176 9.81143 15.2801 7.79336 14.4774 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 8.21762 8.62176 9.78839 15.2801 7.08559 14.4774 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 8.21762 8.62176 9.78839 9.63453 8.63635 8.19638 numMergedOcc 0
3 mol 53 unq 0 iso 0 dist 9.06787 12.2544 5.40748 11.0471 7.11695 4.9516 numMergedOcc 0
4 mol 53 unq 1 iso 0 dist 9.06787 12.2544 5.40748 15.2861 7.58093 5.25639 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 5.14123 5.90023 9.01601 9.82767 8.35444 15.5086 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 6.31404 9.27523 5.56446 5.93604 4.26972 7.03121 numMergedOcc 0
7 mol 141 unq 1 iso 0 dist 6.31404 9.27523 5.56446 6.50711 7.54341 5.65619 numMergedOcc 0
8 mol 144 unq 0 iso 0 dist 8.85737 4.28185 7.46026 15.8553 9.09684 13.6501 numMergedOcc 0
9 mol 146 unq 0 iso 0 dist 8.82192 3.96561 6.93154 11.995 5.41078 10.2064 numMergedOcc 0
10 mol 233 unq 0 iso 0 dist 7.86214 11.237 7.1229 6.99665 6.01775 5.3674 numMergedOcc 0
11 mol 233 unq 1 iso 0 dist 7.86214 7.79118 9.55705 6.99665 6.01775 9.76593 numMergedOcc 0
12 mol 233 unq 2 iso 0 dist 5.29501 5.5881 7.1229 4.43794 6.01775 5.3674 numMergedOcc 0
13 mol 233 unq 3 iso 0 dist 5.29501 5.60683 9.55705 4.43794 6.01775 9.76593 numMergedOcc 0
14 mol 233 unq 4 iso 0 dist 8.81206 11.4518 7.1229 11.2489 6.01775 5.3674 numMergedOcc 0
15 mol 233 unq 5 iso 0 dist 8.81206 3.75722 9.55705 11.2489 6.01775 9.76593 numMergedOcc 0
16 mol 259 unq 0 iso 0 dist 9.93282 10.1934 4.95855 11.4659 6.23661 4.09442 numMergedOcc 0
17 mol 260 unq 0 iso 0 dist 8.52702 11.113 7.27503 4.91827 8.5613 10.3966 numMergedOcc 0
18 mol 260 unq 1 iso 0 dist 8.52702 11.113 7.27503 8.29529 5.7791 5.51525 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 7.37164 5.5725 9.14467 6.34541 8.9466 4.59215 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 7.37164 5.5725 9.14467 6.34541 8.9466 4.59215 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 7.37164 5.5725 9.14467 6.34541 8.9466 4.59215 numMergedOcc 0
