0 mol 69 unq 0 iso 0 dist 8.97173 7.15951 6.55278 5.49981 11.2867 6.75148 numMergedOcc 0
1 mol 90 unq 0 iso 0 dist 9.35806 6.88603 11.5873 7.33525 10.3613 6.11881 numMergedOcc 0
2 mol 90 unq 1 iso 0 dist 4.48773 6.88603 5.30537 7.33525 8.04064 6.11881 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 8.58504 6.97484 11.406 6.7999 10.59 8.20798 numMergedOcc 0
4 mol 134 unq 0 iso 0 dist 9.16832 8.80672 12.6285 12.021 14.598 6.33375 numMergedOcc 0
5 mol 134 unq 1 iso 0 dist 8.17676 6.76614 6.51469 9.63434 12.352 6.33375 numMergedOcc 0
6 mol 178 unq 0 iso 0 dist 7.24761 5.85439 7.66936 11.2444 16.0339 8.71031 numMergedOcc 0
7 mol 205 unq 0 iso 0 dist 6.23909 6.37411 5.33564 4.86574 7.83642 5.24645 numMergedOcc 0
8 mol 226 unq 0 iso 0 dist 8.58566 6.65658 10.2029 5.87289 12.8535 6.86439 numMergedOcc 0
9 mol 226 unq 1 iso 0 dist 8.70027 6.65658 7.43237 5.87289 9.82279 6.86439 numMergedOcc 0
10 mol 234 unq 0 iso 0 dist 7.94402 7.54327 10.1743 13.9126 15.4912 6.553 numMergedOcc 0
11 mol 238 unq 0 iso 0 dist 7.35597 9.07397 5.30958 17.2113 13.9149 9.13022 numMergedOcc 0
12 mol 260 unq 0 iso 0 dist 8.69185 8.04372 13.8826 5.49565 11.0323 9.25515 numMergedOcc 0
13 mol 267 unq 0 iso 0 dist 7.42127 6.87713 11.1943 8.75405 14.9123 7.08658 numMergedOcc 0
14 mol 267 unq 1 iso 0 dist 7.42127 6.87713 11.1943 15.5091 17.1248 9.18446 numMergedOcc 0
15 mol 267 unq 2 iso 0 dist 7.42127 6.87713 11.1943 13.4773 16.6606 6.60591 numMergedOcc 0
16 mol 267 unq 3 iso 0 dist 6.40976 6.87713 6.07755 8.75405 9.36178 7.08658 numMergedOcc 0
17 mol 267 unq 4 iso 0 dist 6.40976 6.87713 6.07755 15.5091 12.7005 9.18446 numMergedOcc 0
18 mol 267 unq 5 iso 0 dist 6.40976 6.87713 6.07755 13.4773 11.0165 6.60591 numMergedOcc 0
19 mol 267 unq 6 iso 0 dist 9.77803 6.87713 12.843 8.75405 17.6295 7.08658 numMergedOcc 0
20 mol 267 unq 7 iso 0 dist 9.77803 6.87713 12.843 15.5091 17.4449 9.18446 numMergedOcc 0
21 mol 267 unq 8 iso 0 dist 9.77803 6.87713 12.843 13.4773 17.7111 6.60591 numMergedOcc 0
