0 mol 13 unq 0 iso 0 dist 5.37391 4.17261 8.47514 11.1067 9.57403 10.5634 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 5.37391 6.68749 7.39086 11.1067 9.57403 8.66829 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 9.10646 4.91484 8.8018 8.05284 7.56229 7.50515 numMergedOcc 0
3 mol 27 unq 1 iso 0 dist 7.95705 10.4607 8.8018 6.72058 7.56229 7.50515 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 7.9399 4.47138 9.854 12.1095 6.31321 11.7069 numMergedOcc 0
5 mol 62 unq 1 iso 0 dist 7.9399 4.16095 8.23749 12.1095 6.31321 12.2937 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.27456 4.49 8.77199 16.1058 8.97148 15.8792 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 9.27456 5.8457 8.81824 16.1058 8.97148 17.5435 numMergedOcc 0
8 mol 91 unq 0 iso 0 dist 4.83495 6.88024 8.99376 4.22408 7.09296 10.1239 numMergedOcc 0
9 mol 91 unq 1 iso 0 dist 4.83495 6.88024 8.99376 5.11651 6.28054 11.6974 numMergedOcc 0
10 mol 91 unq 2 iso 0 dist 5.11803 6.88024 7.37948 4.22408 6.51618 10.1239 numMergedOcc 0
11 mol 91 unq 3 iso 0 dist 5.11803 6.88024 7.37948 5.11651 8.77748 11.6974 numMergedOcc 0
12 mol 107 unq 0 iso 0 dist 8.83855 8.49615 7.02709 14.1277 9.00913 13.3045 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 9.13829 9.32263 8.5457 11.7838 8.48405 14.5928 numMergedOcc 0
14 mol 120 unq 1 iso 0 dist 9.13829 9.45514 6.7928 11.7838 8.48405 10.2711 numMergedOcc 0
15 mol 120 unq 2 iso 0 dist 9.13829 11.5746 7.59189 11.7838 8.48405 6.25243 numMergedOcc 0
16 mol 120 unq 3 iso 0 dist 5.90276 5.95039 8.5457 9.34774 8.48405 14.5928 numMergedOcc 0
17 mol 120 unq 4 iso 0 dist 5.90276 4.09501 6.7928 9.34774 8.48405 10.2711 numMergedOcc 0
18 mol 120 unq 5 iso 0 dist 5.90276 6.81436 7.59189 9.34774 8.48405 6.25243 numMergedOcc 0
19 mol 120 unq 6 iso 0 dist 8.565 14.645 8.5457 6.20311 8.48405 14.5928 numMergedOcc 0
20 mol 120 unq 7 iso 0 dist 8.565 10.2082 6.7928 6.20311 8.48405 10.2711 numMergedOcc 0
21 mol 120 unq 8 iso 0 dist 8.565 6.13307 7.59189 6.20311 8.48405 6.25243 numMergedOcc 0
22 mol 144 unq 0 iso 0 dist 6.63308 4.6812 5.81292 13.6501 7.9261 10.4074 numMergedOcc 0
23 mol 219 unq 0 iso 0 dist 8.15287 5.0241 7.68645 6.16486 6.30365 4.74167 numMergedOcc 0
24 mol 219 unq 1 iso 0 dist 8.15287 5.0241 7.68645 11.7676 5.47325 11.4067 numMergedOcc 0
25 mol 219 unq 2 iso 0 dist 8.15287 4.36122 5.75017 6.16486 6.30365 4.9853 numMergedOcc 0
26 mol 219 unq 3 iso 0 dist 8.15287 4.36122 5.75017 11.7676 5.47325 7.97735 numMergedOcc 0
27 mol 219 unq 4 iso 0 dist 8.15287 14.0703 6.12768 6.16486 6.30365 11.0147 numMergedOcc 0
28 mol 219 unq 5 iso 0 dist 8.15287 14.0703 6.12768 11.7676 5.47325 4.52622 numMergedOcc 0
29 mol 219 unq 6 iso 0 dist 8.15287 13.25 7.19159 6.16486 6.30365 7.87195 numMergedOcc 0
30 mol 219 unq 7 iso 0 dist 8.15287 13.25 7.19159 11.7676 5.47325 5.13707 numMergedOcc 0
31 mol 219 unq 8 iso 0 dist 8.72341 14.1934 7.68645 11.6024 6.30365 4.74167 numMergedOcc 0
32 mol 219 unq 9 iso 0 dist 8.72341 14.1934 7.68645 6.19264 5.47325 11.4067 numMergedOcc 0
33 mol 219 unq 10 iso 0 dist 8.72341 13.288 5.75017 11.6024 6.30365 4.9853 numMergedOcc 0
34 mol 219 unq 11 iso 0 dist 8.72341 13.288 5.75017 6.19264 5.47325 7.97735 numMergedOcc 0
35 mol 219 unq 12 iso 0 dist 8.72341 4.95329 6.12768 11.6024 6.30365 11.0147 numMergedOcc 0
36 mol 219 unq 13 iso 0 dist 8.72341 4.95329 6.12768 6.19264 5.47325 4.52622 numMergedOcc 0
37 mol 219 unq 14 iso 0 dist 8.72341 4.26247 7.19159 11.6024 6.30365 7.87195 numMergedOcc 0
38 mol 219 unq 15 iso 0 dist 8.72341 4.26247 7.19159 6.19264 5.47325 5.13707 numMergedOcc 0
39 mol 243 unq 0 iso 0 dist 7.39089 14.0386 9.57009 4.12468 5.31262 10.0924 numMergedOcc 0
40 mol 283 unq 0 iso 0 dist 7.81415 11.0354 8.25636 6.35551 7.8959 6.85947 numMergedOcc 0
