0 mol 8 unq 0 iso 0 dist 5.41248 4.92734 7.36147 6.26138 7.04632 6.31827 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 5.41248 6.26138 7.04632 4.92734 7.36147 6.31827 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 5.41248 4.92734 7.36147 6.57999 10.1093 8.4069 numMergedOcc 0
3 mol 8 unq 1 iso 1 dist 5.41248 6.57999 10.1093 4.92734 7.36147 8.4069 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 5.41248 6.26138 7.04632 6.57999 10.1093 5.27819 numMergedOcc 0
5 mol 8 unq 1 iso 1 dist 5.41248 6.57999 10.1093 6.26138 7.04632 5.27819 numMergedOcc 0
6 mol 8 unq 2 iso 0 dist 7.45665 6.4754 4.62402 7.3795 5.66268 6.23795 numMergedOcc 0
7 mol 8 unq 2 iso 1 dist 7.45665 7.3795 5.66268 6.4754 4.62402 6.23795 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 9.225 8.41567 6.80777 5.56964 9.95835 10.2879 numMergedOcc 0
9 mol 76 unq 0 iso 1 dist 9.225 5.56964 9.95835 8.41567 6.80777 10.2879 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 7.88143 5.85841 4.04716 7.00285 13.0429 10.6225 numMergedOcc 0
11 mol 98 unq 0 iso 1 dist 7.88143 7.00285 13.0429 5.85841 4.04716 10.6225 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 6.62952 5.85841 4.75433 7.00285 11.5098 10.6225 numMergedOcc 0
13 mol 98 unq 1 iso 1 dist 6.62952 7.00285 11.5098 5.85841 4.75433 10.6225 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 4.3521 6.78839 4.75433 8.02354 11.5098 10.6225 numMergedOcc 0
15 mol 98 unq 2 iso 1 dist 4.3521 8.02354 11.5098 6.78839 4.75433 10.6225 numMergedOcc 0
16 mol 98 unq 3 iso 0 dist 7.14505 9.00692 6.07909 7.62058 9.02353 5.66653 numMergedOcc 0
17 mol 98 unq 3 iso 1 dist 7.14505 7.62058 9.02353 9.00692 6.07909 5.66653 numMergedOcc 0
18 mol 98 unq 4 iso 0 dist 4.7588 6.26542 6.07909 7.02765 9.02353 5.66653 numMergedOcc 0
19 mol 98 unq 4 iso 1 dist 4.7588 7.02765 9.02353 6.26542 6.07909 5.66653 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 8.09751 8.96916 12.7068 5.70279 11.3776 5.33144 numMergedOcc 0
21 mol 100 unq 0 iso 1 dist 8.09751 5.70279 11.3776 8.96916 12.7068 5.33144 numMergedOcc 0
22 mol 140 unq 0 iso 0 dist 6.55217 7.83582 9.7827 9.89896 7.94378 13.6872 numMergedOcc 0
23 mol 140 unq 0 iso 1 dist 6.55217 9.89896 7.94378 7.83582 9.7827 13.6872 numMergedOcc 0
24 mol 140 unq 1 iso 0 dist 6.55217 7.83582 9.7827 9.68229 12.2163 9.35646 numMergedOcc 0
25 mol 140 unq 1 iso 1 dist 6.55217 9.68229 12.2163 7.83582 9.7827 9.35646 numMergedOcc 0
26 mol 140 unq 1 iso 0 dist 6.55217 9.89896 7.94378 9.68229 12.2163 9.66601 numMergedOcc 0
27 mol 140 unq 1 iso 1 dist 6.55217 9.68229 12.2163 9.89896 7.94378 9.66601 numMergedOcc 0
28 mol 140 unq 2 iso 0 dist 7.21686 7.83582 5.80354 9.89896 9.09814 13.6872 numMergedOcc 0
29 mol 140 unq 2 iso 1 dist 7.21686 9.89896 9.09814 7.83582 5.80354 13.6872 numMergedOcc 0
30 mol 140 unq 3 iso 0 dist 7.21686 7.83582 5.80354 9.68229 9.18193 9.35646 numMergedOcc 0
31 mol 140 unq 3 iso 1 dist 7.21686 9.68229 9.18193 7.83582 5.80354 9.35646 numMergedOcc 0
32 mol 140 unq 3 iso 0 dist 7.21686 9.89896 9.09814 9.68229 9.18193 9.66601 numMergedOcc 0
33 mol 140 unq 3 iso 1 dist 7.21686 9.68229 9.18193 9.89896 9.09814 9.66601 numMergedOcc 0
34 mol 154 unq 0 iso 0 dist 4.62366 8.34737 8.32419 8.5163 6.47339 5.62851 numMergedOcc 0
35 mol 154 unq 0 iso 1 dist 4.62366 8.5163 6.47339 8.34737 8.32419 5.62851 numMergedOcc 0
36 mol 172 unq 0 iso 0 dist 5.28889 9.54849 10.0276 5.5139 5.79462 6.11971 numMergedOcc 0
37 mol 172 unq 0 iso 1 dist 5.28889 5.5139 5.79462 9.54849 10.0276 6.11971 numMergedOcc 0
38 mol 172 unq 1 iso 0 dist 4.90175 9.54849 10.6482 5.5139 8.10512 6.11971 numMergedOcc 0
39 mol 172 unq 1 iso 1 dist 4.90175 5.5139 8.10512 9.54849 10.6482 6.11971 numMergedOcc 0
40 mol 222 unq 0 iso 0 dist 7.99609 8.7419 4.81992 8.5834 9.69122 6.8425 numMergedOcc 0
41 mol 222 unq 0 iso 1 dist 7.99609 8.5834 9.69122 8.7419 4.81992 6.8425 numMergedOcc 0
42 mol 224 unq 0 iso 0 dist 8.18749 9.73411 11.2298 7.75485 5.95421 5.60236 numMergedOcc 0
43 mol 224 unq 0 iso 1 dist 8.18749 7.75485 5.95421 9.73411 11.2298 5.60236 numMergedOcc 0
44 mol 229 unq 0 iso 0 dist 6.86281 8.8557 11.8327 5.00457 6.36273 5.57838 numMergedOcc 0
45 mol 229 unq 0 iso 1 dist 6.86281 5.00457 6.36273 8.8557 11.8327 5.57838 numMergedOcc 0
46 mol 230 unq 0 iso 0 dist 9.32781 5.62804 9.33469 9.3619 14.1107 5.46301 numMergedOcc 0
47 mol 230 unq 0 iso 1 dist 9.32781 9.3619 14.1107 5.62804 9.33469 5.46301 numMergedOcc 0
48 mol 238 unq 0 iso 0 dist 5.77828 5.67917 5.65008 8.96639 10.5857 5.40359 numMergedOcc 0
49 mol 238 unq 0 iso 1 dist 5.77828 8.96639 10.5857 5.67917 5.65008 5.40359 numMergedOcc 0
50 mol 238 unq 1 iso 0 dist 7.75366 4.87108 10.3683 7.64276 10.313 5.34096 numMergedOcc 0
51 mol 238 unq 1 iso 1 dist 7.75366 7.64276 10.313 4.87108 10.3683 5.34096 numMergedOcc 0
