0 mol 7 unq 0 iso 0 dist 9.45309 14.1165 6.7985 14.6308 6.14469 8.43473 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.45309 18.9688 9.68596 14.6308 6.14469 5.03847 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 7.89222 3.99573 6.46104 10.7484 6.93197 7.23703 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 7.89222 11.4986 7.36856 10.7484 6.93197 5.81765 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 5.0478 6.43082 6.14538 6.85941 9.17082 4.24786 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 7.74952 10.2137 5.73743 3.98211 8.66165 10.1024 numMergedOcc 0
6 mol 91 unq 1 iso 0 dist 8.99674 6.34706 5.73743 12.4705 8.66165 10.1024 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 7.43804 13.2064 6.7117 13.8217 7.36769 7.94178 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 7.43804 13.2064 6.7117 12.9299 6.88901 4.4057 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 7.43804 5.65902 4.47349 13.8217 7.36769 9.85543 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 7.43804 5.65902 4.47349 12.9299 6.88901 9.67482 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 7.43804 7.85074 5.65185 13.8217 7.36769 7.28361 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 7.43804 7.85074 5.65185 12.9299 6.88901 12.0974 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 8.79499 9.85867 7.80975 7.40519 9.5057 5.42531 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 8.79499 9.85867 7.80975 5.43871 5.75014 4.86592 numMergedOcc 0
15 mol 100 unq 2 iso 0 dist 8.79499 6.6854 7.10378 7.40519 9.5057 8.4128 numMergedOcc 0
16 mol 100 unq 3 iso 0 dist 8.79499 6.6854 7.10378 5.43871 5.75014 7.96533 numMergedOcc 0
17 mol 125 unq 0 iso 0 dist 7.95423 6.35416 9.08382 4.02754 6.33431 6.40824 numMergedOcc 0
18 mol 125 unq 1 iso 0 dist 7.95423 10.6822 9.3778 4.02754 6.33431 9.20086 numMergedOcc 0
19 mol 125 unq 2 iso 0 dist 7.95423 7.26964 7.47069 4.02754 6.33431 9.44075 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 5.80081 7.59723 8.10291 11.3904 9.83945 14.7684 numMergedOcc 0
21 mol 141 unq 1 iso 0 dist 6.35397 5.64577 9.97343 7.98447 9.10042 9.74444 numMergedOcc 0
22 mol 141 unq 2 iso 0 dist 6.35397 5.64577 9.97343 8.12085 9.75059 6.91919 numMergedOcc 0
23 mol 141 unq 3 iso 0 dist 6.35397 5.64577 9.97343 10.1812 6.83404 10.1432 numMergedOcc 0
24 mol 141 unq 4 iso 0 dist 6.35397 12.3864 9.70413 7.98447 9.10042 10.3716 numMergedOcc 0
25 mol 141 unq 5 iso 0 dist 6.35397 12.3864 9.70413 8.12085 9.75059 7.87881 numMergedOcc 0
26 mol 141 unq 6 iso 0 dist 6.35397 12.3864 9.70413 10.1812 6.83404 7.27731 numMergedOcc 0
27 mol 156 unq 0 iso 0 dist 6.97467 15.2799 9.00416 14.0762 8.21184 10.8404 numMergedOcc 0
28 mol 156 unq 1 iso 0 dist 6.97467 15.2799 9.00416 12.9439 5.9976 5.18356 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 5.6688 11.4901 9.72611 4.75774 7.22883 12.7358 numMergedOcc 0
30 mol 196 unq 0 iso 0 dist 6.67699 7.69186 6.70531 10.9094 7.21349 4.54749 numMergedOcc 0
31 mol 196 unq 1 iso 0 dist 6.67699 7.08535 6.86319 10.9094 7.21349 10.645 numMergedOcc 0
32 mol 226 unq 0 iso 0 dist 9.20651 12.9835 8.80683 5.87654 5.70795 7.92585 numMergedOcc 0
33 mol 226 unq 1 iso 0 dist 9.20651 13.1572 6.11704 5.87654 5.70795 7.554 numMergedOcc 0
34 mol 249 unq 0 iso 0 dist 9.68308 5.09262 5.48118 11.1429 5.9627 9.0676 numMergedOcc 0
35 mol 249 unq 1 iso 0 dist 9.68308 4.85486 7.25858 11.1429 5.9627 6.56117 numMergedOcc 0
36 mol 284 unq 0 iso 0 dist 5.61727 10.5879 6.78191 8.51351 7.34931 4.50325 numMergedOcc 0
37 mol 287 unq 0 iso 0 dist 5.62568 10.7971 6.89451 5.48793 6.95912 7.83813 numMergedOcc 0
38 mol 287 unq 1 iso 0 dist 8.82948 6.27066 6.89451 10.7234 6.95912 7.83813 numMergedOcc 0
39 mol 288 unq 0 iso 0 dist 5.62568 10.7971 6.89451 5.48793 6.95912 7.83813 numMergedOcc 0
40 mol 288 unq 1 iso 0 dist 8.82948 6.27066 6.89451 10.7234 6.95912 7.83813 numMergedOcc 0
41 mol 289 unq 0 iso 0 dist 5.62568 10.7971 6.89451 5.48793 6.95912 7.83813 numMergedOcc 0
42 mol 289 unq 1 iso 0 dist 8.82948 6.27066 6.89451 10.7234 6.95912 7.83813 numMergedOcc 0
