0 mol 10 unq 0 iso 0 dist 9.29504 15.356 7.93277 6.23393 8.88888 14.0762 numMergedOcc 0
1 mol 10 unq 0 iso 1 dist 9.29504 6.23393 8.88888 15.356 7.93277 14.0762 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.53081 12.665 7.34325 14.1985 6.42037 3.55124 numMergedOcc 0
3 mol 48 unq 0 iso 1 dist 9.53081 14.1985 6.42037 12.665 7.34325 3.55124 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 6.49343 3.97936 9.06612 10.507 6.04797 11.1108 numMergedOcc 0
5 mol 63 unq 0 iso 1 dist 6.49343 10.507 6.04797 3.97936 9.06612 11.1108 numMergedOcc 0
6 mol 63 unq 1 iso 0 dist 6.49343 3.97936 9.06612 15.191 8.88058 17.0767 numMergedOcc 0
7 mol 63 unq 1 iso 1 dist 6.49343 15.191 8.88058 3.97936 9.06612 17.0767 numMergedOcc 0
8 mol 63 unq 1 iso 0 dist 6.49343 10.507 6.04797 15.191 8.88058 8.25625 numMergedOcc 0
9 mol 63 unq 1 iso 1 dist 6.49343 15.191 8.88058 10.507 6.04797 8.25625 numMergedOcc 0
10 mol 63 unq 2 iso 0 dist 9.78739 11.1699 9.06612 5.32214 6.04797 11.1108 numMergedOcc 0
11 mol 63 unq 2 iso 1 dist 9.78739 5.32214 6.04797 11.1699 9.06612 11.1108 numMergedOcc 0
12 mol 63 unq 3 iso 0 dist 9.78739 11.1699 9.06612 11.3685 8.88058 17.0767 numMergedOcc 0
13 mol 63 unq 3 iso 1 dist 9.78739 11.3685 8.88058 11.1699 9.06612 17.0767 numMergedOcc 0
14 mol 63 unq 3 iso 0 dist 9.78739 5.32214 6.04797 11.3685 8.88058 8.25625 numMergedOcc 0
15 mol 63 unq 3 iso 1 dist 9.78739 11.3685 8.88058 5.32214 6.04797 8.25625 numMergedOcc 0
16 mol 66 unq 0 iso 0 dist 8.68658 5.64923 8.65033 4.23816 7.8807 3.70876 numMergedOcc 0
17 mol 66 unq 0 iso 1 dist 8.68658 4.23816 7.8807 5.64923 8.65033 3.70876 numMergedOcc 0
18 mol 79 unq 0 iso 0 dist 8.61089 6.12551 7.82966 7.19348 8.26763 7.00818 numMergedOcc 0
19 mol 79 unq 0 iso 1 dist 8.61089 7.19348 8.26763 6.12551 7.82966 7.00818 numMergedOcc 0
20 mol 79 unq 1 iso 0 dist 8.61089 6.12551 7.82966 9.62824 6.30814 5.16215 numMergedOcc 0
21 mol 79 unq 1 iso 1 dist 8.61089 9.62824 6.30814 6.12551 7.82966 5.16215 numMergedOcc 0
22 mol 79 unq 2 iso 0 dist 8.61089 6.12551 7.82966 9.96442 7.318 8.14284 numMergedOcc 0
23 mol 79 unq 2 iso 1 dist 8.61089 9.96442 7.318 6.12551 7.82966 8.14284 numMergedOcc 0
24 mol 79 unq 1 iso 0 dist 8.61089 7.19348 8.26763 9.62824 6.30814 6.48468 numMergedOcc 0
25 mol 79 unq 1 iso 1 dist 8.61089 9.62824 6.30814 7.19348 8.26763 6.48468 numMergedOcc 0
26 mol 79 unq 2 iso 0 dist 8.61089 7.19348 8.26763 9.96442 7.318 13.1821 numMergedOcc 0
27 mol 79 unq 2 iso 1 dist 8.61089 9.96442 7.318 7.19348 8.26763 13.1821 numMergedOcc 0
28 mol 79 unq 2 iso 0 dist 8.61089 9.62824 6.30814 9.96442 7.318 9.61175 numMergedOcc 0
29 mol 79 unq 2 iso 1 dist 8.61089 9.96442 7.318 9.62824 6.30814 9.61175 numMergedOcc 0
30 mol 79 unq 3 iso 0 dist 8.64686 7.18389 7.82966 11.5374 8.26763 7.00818 numMergedOcc 0
31 mol 79 unq 3 iso 1 dist 8.64686 11.5374 8.26763 7.18389 7.82966 7.00818 numMergedOcc 0
32 mol 79 unq 4 iso 0 dist 8.64686 7.18389 7.82966 5.21981 6.30814 5.16215 numMergedOcc 0
33 mol 79 unq 4 iso 1 dist 8.64686 5.21981 6.30814 7.18389 7.82966 5.16215 numMergedOcc 0
34 mol 79 unq 5 iso 0 dist 8.64686 7.18389 7.82966 8.12985 7.318 8.14284 numMergedOcc 0
35 mol 79 unq 5 iso 1 dist 8.64686 8.12985 7.318 7.18389 7.82966 8.14284 numMergedOcc 0
36 mol 79 unq 4 iso 0 dist 8.64686 11.5374 8.26763 5.21981 6.30814 6.48468 numMergedOcc 0
37 mol 79 unq 4 iso 1 dist 8.64686 5.21981 6.30814 11.5374 8.26763 6.48468 numMergedOcc 0
38 mol 79 unq 5 iso 0 dist 8.64686 11.5374 8.26763 8.12985 7.318 13.1821 numMergedOcc 0
39 mol 79 unq 5 iso 1 dist 8.64686 8.12985 7.318 11.5374 8.26763 13.1821 numMergedOcc 0
40 mol 79 unq 5 iso 0 dist 8.64686 5.21981 6.30814 8.12985 7.318 9.61175 numMergedOcc 0
41 mol 79 unq 5 iso 1 dist 8.64686 8.12985 7.318 5.21981 6.30814 9.61175 numMergedOcc 0
42 mol 83 unq 0 iso 0 dist 7.2118 9.38885 7.93119 4.93836 5.25361 11.3922 numMergedOcc 0
43 mol 83 unq 0 iso 1 dist 7.2118 4.93836 5.25361 9.38885 7.93119 11.3922 numMergedOcc 0
44 mol 87 unq 0 iso 0 dist 6.22441 6.65805 9.72782 9.24705 8.81954 5.02509 numMergedOcc 0
45 mol 87 unq 0 iso 1 dist 6.22441 9.24705 8.81954 6.65805 9.72782 5.02509 numMergedOcc 0
46 mol 158 unq 0 iso 0 dist 9.96635 7.76298 7.68074 8.17573 9.1854 10.0033 numMergedOcc 0
47 mol 158 unq 0 iso 1 dist 9.96635 8.17573 9.1854 7.76298 7.68074 10.0033 numMergedOcc 0
48 mol 192 unq 0 iso 0 dist 9.17137 7.56199 7.49971 9.186 9.07427 7.99098 numMergedOcc 0
49 mol 192 unq 0 iso 1 dist 9.17137 9.186 9.07427 7.56199 7.49971 7.99098 numMergedOcc 0
50 mol 195 unq 0 iso 0 dist 7.2833 4.79025 9.20541 6.01032 6.65077 10.558 numMergedOcc 0
51 mol 195 unq 0 iso 1 dist 7.2833 6.01032 6.65077 4.79025 9.20541 10.558 numMergedOcc 0
52 mol 210 unq 0 iso 0 dist 8.05949 10.8542 7.80421 14.6074 9.71107 10.6482 numMergedOcc 0
53 mol 210 unq 0 iso 1 dist 8.05949 14.6074 9.71107 10.8542 7.80421 10.6482 numMergedOcc 0
54 mol 210 unq 1 iso 0 dist 8.05949 10.8542 7.80421 13.6787 9.7449 12.6352 numMergedOcc 0
55 mol 210 unq 1 iso 1 dist 8.05949 13.6787 9.7449 10.8542 7.80421 12.6352 numMergedOcc 0
56 mol 210 unq 1 iso 0 dist 8.05949 14.6074 9.71107 13.6787 9.7449 3.59461 numMergedOcc 0
57 mol 210 unq 1 iso 1 dist 8.05949 13.6787 9.7449 14.6074 9.71107 3.59461 numMergedOcc 0
58 mol 279 unq 0 iso 0 dist 7.83793 12.7149 8.49945 7.60708 9.68415 8.36111 numMergedOcc 0
59 mol 279 unq 0 iso 1 dist 7.83793 7.60708 9.68415 12.7149 8.49945 8.36111 numMergedOcc 0
60 mol 292 unq 0 iso 0 dist 5.83342 7.60595 9.63325 6.03488 8.67283 5.26492 numMergedOcc 0
61 mol 292 unq 0 iso 1 dist 5.83342 6.03488 8.67283 7.60595 9.63325 5.26492 numMergedOcc 0
