0 mol 72 unq 0 iso 0 dist 8.26541 5.36766 4.86198 6.78054 6.79423 4.7874 numMergedOcc 0
1 mol 72 unq 0 iso 1 dist 4.86198 5.36766 8.26541 4.7874 6.79423 6.78054 numMergedOcc 0
2 mol 72 unq 1 iso 0 dist 8.26541 7.04035 6.62699 6.78054 6.79423 10.3016 numMergedOcc 0
3 mol 72 unq 1 iso 1 dist 6.62699 7.04035 8.26541 10.3016 6.79423 6.78054 numMergedOcc 0
4 mol 72 unq 2 iso 0 dist 8.26541 7.78491 8.98867 6.78054 6.79423 9.35725 numMergedOcc 0
5 mol 72 unq 2 iso 1 dist 8.98867 7.78491 8.26541 9.35725 6.79423 6.78054 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 4.86198 8.24309 6.62699 4.7874 6.79423 10.3016 numMergedOcc 0
7 mol 72 unq 1 iso 1 dist 6.62699 8.24309 4.86198 10.3016 6.79423 4.7874 numMergedOcc 0
8 mol 72 unq 2 iso 0 dist 4.86198 10.1538 8.98867 4.7874 6.79423 9.35725 numMergedOcc 0
9 mol 72 unq 2 iso 1 dist 8.98867 10.1538 4.86198 9.35725 6.79423 4.7874 numMergedOcc 0
10 mol 72 unq 2 iso 0 dist 6.62699 5.8486 8.98867 10.3016 6.79423 9.35725 numMergedOcc 0
11 mol 72 unq 2 iso 1 dist 8.98867 5.8486 6.62699 9.35725 6.79423 10.3016 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 5.85237 8.44575 9.11768 3.88489 7.07839 9.22202 numMergedOcc 0
13 mol 85 unq 0 iso 1 dist 9.11768 8.44575 5.85237 9.22202 7.07839 3.88489 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 5.85237 8.44575 9.11768 7.33192 9.09711 15.5226 numMergedOcc 0
15 mol 85 unq 1 iso 1 dist 9.11768 8.44575 5.85237 15.5226 9.09711 7.33192 numMergedOcc 0
16 mol 85 unq 2 iso 0 dist 5.85237 8.44575 9.11768 6.35602 7.04244 10.5854 numMergedOcc 0
17 mol 85 unq 2 iso 1 dist 9.11768 8.44575 5.85237 10.5854 7.04244 6.35602 numMergedOcc 0
18 mol 85 unq 3 iso 0 dist 5.85237 8.44575 9.11768 13.5979 9.63449 10.0606 numMergedOcc 0
19 mol 85 unq 3 iso 1 dist 9.11768 8.44575 5.85237 10.0606 9.63449 13.5979 numMergedOcc 0
20 mol 85 unq 4 iso 0 dist 5.85237 8.44575 9.11768 5.78841 7.91193 12.2858 numMergedOcc 0
21 mol 85 unq 4 iso 1 dist 9.11768 8.44575 5.85237 12.2858 7.91193 5.78841 numMergedOcc 0
22 mol 147 unq 0 iso 0 dist 8.39897 7.63992 9.03078 7.06219 3.82583 6.04074 numMergedOcc 0
23 mol 147 unq 0 iso 1 dist 9.03078 7.63992 8.39897 6.04074 3.82583 7.06219 numMergedOcc 0
24 mol 147 unq 1 iso 0 dist 8.39897 7.63992 9.03078 4.19634 5.19116 6.24579 numMergedOcc 0
25 mol 147 unq 1 iso 1 dist 9.03078 7.63992 8.39897 6.24579 5.19116 4.19634 numMergedOcc 0
26 mol 168 unq 0 iso 0 dist 7.48734 7.50884 5.6125 3.42733 5.86767 6.57536 numMergedOcc 0
27 mol 168 unq 0 iso 1 dist 5.6125 7.50884 7.48734 6.57536 5.86767 3.42733 numMergedOcc 0
28 mol 168 unq 1 iso 0 dist 7.48734 7.50884 5.6125 8.91606 5.28353 4.07587 numMergedOcc 0
29 mol 168 unq 1 iso 1 dist 5.6125 7.50884 7.48734 4.07587 5.28353 8.91606 numMergedOcc 0
30 mol 194 unq 0 iso 0 dist 9.38984 4.85934 9.91118 11.6641 4.68722 10.0534 numMergedOcc 0
31 mol 194 unq 0 iso 1 dist 9.91118 4.85934 9.38984 10.0534 4.68722 11.6641 numMergedOcc 0
32 mol 194 unq 1 iso 0 dist 9.38984 4.85934 9.91118 7.3365 5.18325 6.3514 numMergedOcc 0
33 mol 194 unq 1 iso 1 dist 9.91118 4.85934 9.38984 6.3514 5.18325 7.3365 numMergedOcc 0
34 mol 206 unq 0 iso 0 dist 4.51255 5.63422 6.23183 4.46135 6.80296 3.56132 numMergedOcc 0
35 mol 206 unq 0 iso 1 dist 6.23183 5.63422 4.51255 3.56132 6.80296 4.46135 numMergedOcc 0
36 mol 213 unq 0 iso 0 dist 8.82761 5.45334 4.66576 4.67313 9.71831 7.49785 numMergedOcc 0
37 mol 213 unq 0 iso 1 dist 4.66576 5.45334 8.82761 7.49785 9.71831 4.67313 numMergedOcc 0
38 mol 253 unq 0 iso 0 dist 5.77511 8.02948 9.27311 10.0874 8.66299 5.10494 numMergedOcc 0
39 mol 253 unq 0 iso 1 dist 9.27311 8.02948 5.77511 5.10494 8.66299 10.0874 numMergedOcc 0
40 mol 277 unq 0 iso 0 dist 9.54359 5.59609 5.69112 13.7583 7.98956 11.8607 numMergedOcc 0
41 mol 277 unq 0 iso 1 dist 5.69112 5.59609 9.54359 11.8607 7.98956 13.7583 numMergedOcc 0
42 mol 277 unq 1 iso 0 dist 9.54359 5.59609 5.69112 13.6433 5.86185 10.9137 numMergedOcc 0
43 mol 277 unq 1 iso 1 dist 5.69112 5.59609 9.54359 10.9137 5.86185 13.6433 numMergedOcc 0
44 mol 277 unq 2 iso 0 dist 9.54359 5.59609 5.69112 10.469 6.79748 5.09884 numMergedOcc 0
45 mol 277 unq 2 iso 1 dist 5.69112 5.59609 9.54359 5.09884 6.79748 10.469 numMergedOcc 0
46 mol 277 unq 3 iso 0 dist 7.42932 7.08227 4.9764 14.2348 7.98956 7.75371 numMergedOcc 0
47 mol 277 unq 3 iso 1 dist 4.9764 7.08227 7.42932 7.75371 7.98956 14.2348 numMergedOcc 0
48 mol 287 unq 0 iso 0 dist 5.30118 4.8356 8.98698 3.65199 4.68668 5.70614 numMergedOcc 0
49 mol 287 unq 0 iso 1 dist 8.98698 4.8356 5.30118 5.70614 4.68668 3.65199 numMergedOcc 0
50 mol 288 unq 0 iso 0 dist 5.30118 4.8356 8.98698 3.65199 4.68668 5.70614 numMergedOcc 0
51 mol 288 unq 0 iso 1 dist 8.98698 4.8356 5.30118 5.70614 4.68668 3.65199 numMergedOcc 0
52 mol 289 unq 0 iso 0 dist 5.30118 4.8356 8.98698 3.65199 4.68668 5.70614 numMergedOcc 0
53 mol 289 unq 0 iso 1 dist 8.98698 4.8356 5.30118 5.70614 4.68668 3.65199 numMergedOcc 0
