0 mol 42 unq 0 iso 0 dist 6.14934 6.30917 9.53458 11.2041 11.1435 6.25866 numMergedOcc 0
1 mol 42 unq 1 iso 0 dist 8.04675 6.30917 9.16649 11.2041 9.34878 6.25866 numMergedOcc 0
2 mol 42 unq 2 iso 0 dist 8.64833 12.2853 9.53458 17.0736 11.1435 6.25866 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 7.16036 9.32021 7.52117 11.2104 5.87283 9.17518 numMergedOcc 0
4 mol 44 unq 1 iso 0 dist 7.16036 9.32021 7.52117 14.7353 10.6223 8.21833 numMergedOcc 0
5 mol 94 unq 0 iso 0 dist 9.24996 6.05887 8.16733 10.5991 8.20144 5.18655 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 5.87387 11.3694 6.34525 10.1667 5.31367 8.06525 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.59784 12.9632 8.56342 17.9689 10.0197 9.87025 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 8.59784 12.9632 8.56342 17.222 10.6679 5.85818 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 9.69757 13.4383 6.92648 14.0878 4.89973 9.39683 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 8.72463 4.88215 8.41611 4.86894 5.44503 6.40901 numMergedOcc 0
11 mol 143 unq 1 iso 0 dist 8.72463 8.25783 7.63338 12.3708 6.01455 8.1582 numMergedOcc 0
12 mol 143 unq 2 iso 0 dist 8.72463 8.25783 7.63338 4.86894 5.44503 9.40626 numMergedOcc 0
13 mol 143 unq 3 iso 0 dist 8.72463 12.956 7.25673 12.3708 6.01455 7.88655 numMergedOcc 0
14 mol 148 unq 0 iso 0 dist 7.38138 3.97123 7.97543 4.7785 6.29254 8.12589 numMergedOcc 0
15 mol 150 unq 0 iso 0 dist 7.34423 3.98367 7.85526 4.79493 6.25747 8.11592 numMergedOcc 0
16 mol 159 unq 0 iso 0 dist 7.78695 6.47213 7.25742 10.7746 4.57561 7.13269 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 9.25528 6.09526 6.51749 11.1264 5.4601 7.345 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 9.25528 6.09526 6.51749 15.1056 10.0524 9.52987 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 5.63906 8.39509 9.83476 14.6537 13.1933 7.94153 numMergedOcc 0
20 mol 192 unq 0 iso 0 dist 9.05666 6.93447 7.24199 8.15486 5.71262 8.53433 numMergedOcc 0
21 mol 198 unq 0 iso 0 dist 5.80867 11.1573 8.10985 15.8606 12.2117 8.15936 numMergedOcc 0
22 mol 198 unq 1 iso 0 dist 5.80867 11.1573 8.10985 12.6731 10.8191 8.16598 numMergedOcc 0
23 mol 198 unq 2 iso 0 dist 9.4363 4.75457 8.10985 10.0328 12.2117 8.15936 numMergedOcc 0
24 mol 198 unq 3 iso 0 dist 9.4363 4.75457 8.10985 7.48163 10.8191 8.16598 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 6.83122 8.62938 6.38157 6.74861 6.67959 5.10114 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 7.2527 9.87539 6.66971 11.5738 13.0842 9.42618 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 7.13194 9.87539 7.32982 11.5738 8.85181 9.42618 numMergedOcc 0
28 mol 238 unq 2 iso 0 dist 9.29203 10.4401 6.66971 16.0336 13.0842 9.42618 numMergedOcc 0
29 mol 238 unq 3 iso 0 dist 7.62771 10.4401 6.4398 16.0336 15.3074 9.42618 numMergedOcc 0
30 mol 238 unq 4 iso 0 dist 7.80166 10.4401 7.32982 16.0336 8.85181 9.42618 numMergedOcc 0
31 mol 238 unq 5 iso 0 dist 9.2521 6.12311 5.64181 6.54661 10.4664 8.6597 numMergedOcc 0
32 mol 238 unq 6 iso 0 dist 9.2521 6.12311 5.64181 8.97261 11.2717 7.47235 numMergedOcc 0
33 mol 238 unq 7 iso 0 dist 9.2521 6.12311 5.64181 12.0613 5.17471 6.44735 numMergedOcc 0
34 mol 238 unq 8 iso 0 dist 9.2521 6.12311 5.64181 10.5037 5.03393 5.91208 numMergedOcc 0
35 mol 238 unq 9 iso 0 dist 9.41975 7.3781 7.61393 14.0209 13.3539 8.6597 numMergedOcc 0
36 mol 238 unq 10 iso 0 dist 9.41975 7.3781 7.61393 12.03 14.7509 7.47235 numMergedOcc 0
37 mol 238 unq 11 iso 0 dist 9.41975 7.3781 7.61393 12.5402 10.7999 6.44735 numMergedOcc 0
38 mol 238 unq 12 iso 0 dist 9.41975 7.3781 7.61393 9.14992 5.49433 5.91208 numMergedOcc 0
39 mol 238 unq 13 iso 0 dist 8.51359 6.12311 7.61393 6.54661 13.3539 8.6597 numMergedOcc 0
40 mol 238 unq 14 iso 0 dist 8.51359 6.12311 7.61393 8.97261 14.7509 7.47235 numMergedOcc 0
41 mol 238 unq 15 iso 0 dist 8.51359 6.12311 7.61393 12.0613 10.7999 6.44735 numMergedOcc 0
42 mol 238 unq 16 iso 0 dist 8.51359 6.12311 7.61393 10.5037 5.49433 5.91208 numMergedOcc 0
43 mol 259 unq 0 iso 0 dist 9.47382 15.3317 8.55558 15.0738 5.79468 6.39918 numMergedOcc 0
44 mol 282 unq 0 iso 0 dist 8.74201 5.59305 8.0241 10.5043 5.9438 6.353 numMergedOcc 0
45 mol 282 unq 1 iso 0 dist 6.65024 6.6021 8.0241 8.47112 5.9438 6.353 numMergedOcc 0
