0 mol 17 unq 0 iso 0 dist 9.23243 15.9348 9.19031 13.6284 9.26171 4.36561 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 9.23243 15.9348 9.19031 11.0915 8.70761 7.46777 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 6.29578 9.58891 9.4228 7.58687 9.74724 16.7341 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 6.29578 9.58891 9.4228 5.14626 9.13347 14.3516 numMergedOcc 0
4 mol 20 unq 2 iso 0 dist 8.6615 15.544 7.16149 6.26209 9.0017 15.8767 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 4.73829 4.73978 6.44791 5.12034 6.52537 4.18595 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 5.6738 11.224 5.82487 10.3017 8.46167 11.6076 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 5.6738 11.224 5.82487 10.3632 6.13175 7.84907 numMergedOcc 0
8 mol 113 unq 2 iso 0 dist 5.6738 11.224 5.82487 9.86085 4.34107 4.11536 numMergedOcc 0
9 mol 176 unq 0 iso 0 dist 8.27087 7.68038 6.32146 7.69131 5.60333 5.02061 numMergedOcc 0
10 mol 176 unq 1 iso 0 dist 8.27087 7.68038 6.32146 5.25264 5.58647 6.40668 numMergedOcc 0
11 mol 176 unq 2 iso 0 dist 8.27087 7.68038 6.32146 9.38629 8.5733 10.3398 numMergedOcc 0
12 mol 176 unq 3 iso 0 dist 7.71329 4.68256 6.32146 4.53563 5.60333 5.02061 numMergedOcc 0
13 mol 176 unq 4 iso 0 dist 7.71329 4.68256 6.32146 3.97245 5.58647 6.40668 numMergedOcc 0
14 mol 176 unq 5 iso 0 dist 7.71329 4.68256 6.32146 7.9617 8.5733 10.3398 numMergedOcc 0
15 mol 196 unq 0 iso 0 dist 6.23804 9.99132 6.11835 4.20473 8.94198 12.4987 numMergedOcc 0
16 mol 196 unq 1 iso 0 dist 6.66019 9.99132 9.93668 4.20473 9.49159 12.4987 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 6.24316 4.8193 8.95821 6.47265 8.15802 3.57917 numMergedOcc 0
18 mol 230 unq 0 iso 0 dist 6.35413 4.66984 9.0813 13.5506 8.46558 13.9138 numMergedOcc 0
19 mol 230 unq 1 iso 0 dist 6.35413 4.66984 9.0813 12.7091 9.96417 14.6682 numMergedOcc 0
20 mol 230 unq 2 iso 0 dist 6.35413 4.66984 9.0813 11.621 9.28671 15.1309 numMergedOcc 0
21 mol 230 unq 3 iso 0 dist 6.35413 7.41279 5.94606 13.5506 8.46558 11.0218 numMergedOcc 0
22 mol 230 unq 4 iso 0 dist 6.35413 7.41279 5.94606 12.7091 9.96417 5.80474 numMergedOcc 0
23 mol 230 unq 5 iso 0 dist 6.35413 7.41279 5.94606 11.621 9.28671 4.65404 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 6.26195 7.6323 7.98028 3.57554 8.27566 5.6683 numMergedOcc 0
25 mol 258 unq 1 iso 0 dist 6.26195 6.30874 5.8473 3.57554 8.27566 5.82277 numMergedOcc 0
26 mol 285 unq 0 iso 0 dist 7.06369 8.38263 8.89057 6.4415 7.8605 6.3912 numMergedOcc 0
27 mol 285 unq 1 iso 0 dist 7.06369 12.0507 7.97266 6.4415 7.8605 12.3871 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 7.64453 16.3901 9.29241 15.6386 8.70479 4.21609 numMergedOcc 0
29 mol 288 unq 0 iso 0 dist 7.64453 16.3901 9.29241 15.6386 8.70479 4.21609 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 7.64453 16.3901 9.29241 15.6386 8.70479 4.21609 numMergedOcc 0
