0 mol 32 unq 0 iso 0 dist 6.89423 10.0517 8.91596 15.6541 10.8132 7.99969 10.7961 6.37026 7.26268 6.30042 numMergedOcc 0
1 mol 122 unq 0 iso 0 dist 8.08737 7.21898 4.42563 15.5452 11.3935 9.23819 10.5267 3.17342 6.00603 9.83972 numMergedOcc 0
2 mol 122 unq 1 iso 0 dist 8.08737 7.21898 4.42563 14.8384 8.90201 8.88537 10.5267 3.17342 6.00603 6.29388 numMergedOcc 0
3 mol 168 unq 0 iso 0 dist 7.667 7.26802 8.92592 8.30857 5.71136 7.44629 5.21801 3.5168 6.02086 4.02702 numMergedOcc 0
4 mol 175 unq 0 iso 0 dist 7.19751 9.72213 9.19156 15.2004 11.8094 9.39352 18.3573 14.8784 9.63417 6.43397 numMergedOcc 0
5 mol 181 unq 0 iso 0 dist 7.39733 7.07865 8.29467 5.25309 3.63671 5.94469 9.86015 5.09584 6.64173 4.98436 numMergedOcc 0
6 mol 181 unq 1 iso 0 dist 7.39733 7.07865 8.29467 5.25309 3.63671 5.94469 12.3619 11.4645 9.01624 11.9796 numMergedOcc 0
7 mol 181 unq 2 iso 0 dist 7.39733 7.07865 8.29467 5.25309 3.63671 5.94469 14.0951 11.5807 9.55105 12.3589 numMergedOcc 0
8 mol 181 unq 3 iso 0 dist 8.74268 13.9526 8.29467 10.1186 3.63671 5.94469 13.6966 5.09584 6.64173 4.98436 numMergedOcc 0
9 mol 181 unq 4 iso 0 dist 8.74268 13.9526 8.29467 10.1186 3.63671 5.94469 14.8505 11.4645 9.01624 11.9796 numMergedOcc 0
10 mol 181 unq 5 iso 0 dist 8.74268 13.9526 8.29467 10.1186 3.63671 5.94469 16.671 11.5807 9.55105 12.3589 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 7.72354 7.25468 9.84566 6.65725 5.05856 6.42735 10.424 6.68311 8.97589 3.7949 numMergedOcc 0
12 mol 184 unq 1 iso 0 dist 7.72354 7.25468 9.84566 6.65725 5.05856 6.42735 9.07247 9.71065 5.96423 4.67256 numMergedOcc 0
13 mol 213 unq 0 iso 0 dist 8.64187 12.6417 8.82761 19.9332 15.5804 7.37798 17.2591 14.4808 8.21793 8.75651 numMergedOcc 0
14 mol 213 unq 1 iso 0 dist 8.64187 12.6417 8.82761 11.5004 6.78109 7.73322 17.2591 14.4808 8.21793 8.99471 numMergedOcc 0
15 mol 213 unq 2 iso 0 dist 8.64187 10.3241 4.66576 11.5004 6.78109 8.14332 13.5203 5.45331 8.22569 6.60887 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 7.29668 8.598 5.30118 10.0458 5.39801 9.65934 10.7645 3.66473 7.45616 5.97664 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 7.29668 8.598 5.30118 10.0458 5.39801 9.65934 10.7645 3.66473 7.45616 5.97664 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 7.29668 8.598 5.30118 10.0458 5.39801 9.65934 10.7645 3.66473 7.45616 5.97664 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 8.27039 5.81799 4.49592 6.68183 5.06937 7.07965 12.4656 9.42231 7.20674 13.8094 numMergedOcc 0
20 mol 292 unq 1 iso 0 dist 8.27039 5.81799 4.49592 6.68183 5.06937 7.07965 10.7736 11.9106 8.38121 13.8468 numMergedOcc 0
