0 mol 7 unq 0 iso 0 dist 7.13214 9.60361 6.12483 4.78012 5.99972 5.99459 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.13214 9.60361 6.12483 7.67025 9.68006 10.1349 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 7.24775 9.21811 13.4461 10.6901 9.52474 10.757 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 8.14607 4.88863 3.85627 5.19333 7.26024 6.17207 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 7.38868 8.2282 3.85627 5.57159 7.26024 6.17207 numMergedOcc 0
5 mol 68 unq 2 iso 0 dist 9.04129 8.2282 7.15683 5.57159 6.36086 6.17207 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 7.43804 7.6935 3.92737 13.2064 6.7117 9.81956 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 7.43804 7.6935 3.92737 5.65902 4.47349 7.54889 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 7.43804 7.6935 3.92737 7.85074 5.65185 7.78931 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 7.43804 8.71558 3.94967 13.2064 6.7117 5.10496 numMergedOcc 0
10 mol 98 unq 4 iso 0 dist 7.43804 8.71558 3.94967 5.65902 4.47349 5.2571 numMergedOcc 0
11 mol 98 unq 5 iso 0 dist 7.43804 8.71558 3.94967 7.85074 5.65185 8.7497 numMergedOcc 0
12 mol 124 unq 0 iso 0 dist 9.13301 8.89976 5.88667 5.07165 6.96281 9.88568 numMergedOcc 0
13 mol 124 unq 1 iso 0 dist 7.55095 9.18988 5.88667 6.27128 6.96281 9.88568 numMergedOcc 0
14 mol 130 unq 0 iso 0 dist 9.96946 6.81609 15.6302 12.8587 9.72053 15.7808 numMergedOcc 0
15 mol 130 unq 1 iso 0 dist 9.96946 6.81609 15.6302 14.7321 7.7949 21.4054 numMergedOcc 0
16 mol 130 unq 2 iso 0 dist 9.96946 7.86701 17.2973 12.8587 9.72053 19.7464 numMergedOcc 0
17 mol 130 unq 3 iso 0 dist 9.96946 7.86701 17.2973 14.7321 7.7949 21.8623 numMergedOcc 0
18 mol 130 unq 4 iso 0 dist 9.96946 9.77422 19.2035 12.8587 9.72053 22.1124 numMergedOcc 0
19 mol 130 unq 5 iso 0 dist 9.96946 9.77422 19.2035 14.7321 7.7949 22.0769 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 6.35397 7.20083 10.7779 5.64577 9.97343 12.176 numMergedOcc 0
21 mol 141 unq 1 iso 0 dist 6.35397 7.20083 10.7779 12.3864 9.70413 18.7399 numMergedOcc 0
22 mol 167 unq 0 iso 0 dist 7.93807 5.57495 5.43662 5.89138 9.67741 7.20495 numMergedOcc 0
23 mol 167 unq 1 iso 0 dist 7.93807 9.38297 5.95858 5.89138 9.67741 7.02548 numMergedOcc 0
24 mol 237 unq 0 iso 0 dist 6.78301 6.16312 4.08768 10.8238 7.41478 11.0148 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 8.03226 9.97859 13.8857 5.65307 7.10685 8.63015 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 7.37358 9.813 11.7578 5.65983 7.23721 14.8033 numMergedOcc 0
27 mol 279 unq 1 iso 0 dist 7.37358 6.63442 4.05042 5.65983 7.23721 7.24366 numMergedOcc 0
28 mol 284 unq 0 iso 0 dist 5.61727 6.52085 5.54042 10.5879 6.78191 10.4877 numMergedOcc 0
29 mol 284 unq 1 iso 0 dist 5.61727 9.84174 14.3479 10.5879 6.78191 18.8246 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 9.52718 7.74312 5.97664 12.9284 8.91712 13.0848 numMergedOcc 0
31 mol 287 unq 1 iso 0 dist 9.52718 7.74312 5.97664 6.56751 9.65934 7.45616 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 9.52718 7.74312 5.97664 12.9284 8.91712 13.0848 numMergedOcc 0
33 mol 288 unq 1 iso 0 dist 9.52718 7.74312 5.97664 6.56751 9.65934 7.45616 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 9.52718 7.74312 5.97664 12.9284 8.91712 13.0848 numMergedOcc 0
35 mol 289 unq 1 iso 0 dist 9.52718 7.74312 5.97664 6.56751 9.65934 7.45616 numMergedOcc 0
