0 mol 26 unq 0 iso 0 dist 6.88695 9.70778 16.2725 6.66387 9.16962 10.9263 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 7.51075 9.33051 12.1447 3.89794 7.96497 13.1318 numMergedOcc 0
2 mol 74 unq 0 iso 0 dist 9.99155 5.23115 4.79817 3.94075 8.96501 4.79413 numMergedOcc 0
3 mol 88 unq 0 iso 0 dist 7.74197 8.87924 5.31226 10.0278 8.66514 12.532 numMergedOcc 0
4 mol 88 unq 1 iso 0 dist 7.74197 8.87924 5.31226 8.37153 9.25235 13.5643 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 5.9179 7.86269 8.89062 4.97513 8.39016 7.54496 numMergedOcc 0
6 mol 90 unq 1 iso 0 dist 9.34782 7.86269 10.1287 4.97513 6.99355 7.54496 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 5.49877 7.39532 5.97111 6.53156 6.89257 6.42785 numMergedOcc 0
8 mol 130 unq 1 iso 0 dist 5.49877 7.39532 5.97111 4.72188 8.74308 10.3718 numMergedOcc 0
9 mol 130 unq 2 iso 0 dist 5.49877 6.62468 6.97875 6.53156 6.89257 6.82089 numMergedOcc 0
10 mol 130 unq 3 iso 0 dist 5.49877 6.62468 6.97875 4.72188 8.74308 5.38314 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 7.81337 7.27702 7.73656 6.25099 6.91348 11.0544 numMergedOcc 0
12 mol 131 unq 1 iso 0 dist 7.81337 7.27702 7.73656 14.8295 9.51418 17.216 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 5.86531 7.34386 8.6769 5.80615 7.92688 9.4062 numMergedOcc 0
14 mol 213 unq 0 iso 0 dist 7.88794 8.91912 5.84474 4.23514 6.68292 10.2818 numMergedOcc 0
15 mol 213 unq 1 iso 0 dist 7.88794 8.91912 5.84474 6.58235 4.26212 7.37935 numMergedOcc 0
16 mol 218 unq 0 iso 0 dist 7.73315 5.72444 10.4526 12.9902 8.53199 16.9043 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 8.59986 9.39659 7.05373 10.0609 9.02188 12.1265 numMergedOcc 0
18 mol 266 unq 1 iso 0 dist 8.59986 8.25445 7.26083 10.0609 9.02188 14.1049 numMergedOcc 0
19 mol 270 unq 0 iso 0 dist 7.82003 4.95899 6.96493 6.41275 8.25349 10.3454 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 6.55855 7.71972 8.09454 5.95459 9.19234 12.0361 numMergedOcc 0
21 mol 274 unq 1 iso 0 dist 6.55855 9.76049 14.1363 5.95459 9.19234 13.4562 numMergedOcc 0
