0 mol 42 unq 0 iso 0 dist 6.14934 6.30917 9.53458 8.04675 5.59383 9.16649 11.2041 11.1435 6.25866 9.34878 numMergedOcc 0
1 mol 42 unq 1 iso 0 dist 8.04675 6.30917 9.16649 6.14934 5.59383 9.53458 11.2041 9.34878 6.25866 11.1435 numMergedOcc 0
2 mol 42 unq 2 iso 0 dist 8.64833 12.2853 9.53458 11.6445 5.59383 9.16649 17.0736 11.1435 6.25866 9.34878 numMergedOcc 0
3 mol 94 unq 0 iso 0 dist 9.24996 6.05887 8.16733 10.633 7.49897 9.97569 10.5991 8.20144 5.18655 11.997 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 8.59784 12.9632 8.56342 13.3176 4.85907 7.99857 17.9689 10.0197 9.87025 6.35763 numMergedOcc 0
5 mol 119 unq 1 iso 0 dist 8.59784 12.9632 8.56342 13.3176 4.85907 7.99857 17.222 10.6679 5.85818 7.36192 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 9.69757 13.4383 6.92648 15.2412 7.58238 9.15431 14.0878 4.89973 9.39683 7.71288 numMergedOcc 0
7 mol 131 unq 1 iso 0 dist 9.69757 13.4383 6.92648 12.5659 6.63273 9.29384 14.0878 4.89973 9.39683 7.00551 numMergedOcc 0
8 mol 148 unq 0 iso 0 dist 7.38138 3.97123 7.97543 11.2295 7.26616 9.02318 4.7785 6.29254 8.12589 12.144 numMergedOcc 0
9 mol 148 unq 1 iso 0 dist 7.38138 3.97123 7.97543 10.5375 8.72919 9.74542 4.7785 6.29254 8.12589 10.2478 numMergedOcc 0
10 mol 150 unq 0 iso 0 dist 7.34423 3.98367 7.85526 10.4957 8.77324 9.6606 4.79493 6.25747 8.11592 10.2318 numMergedOcc 0
11 mol 150 unq 1 iso 0 dist 7.34423 3.98367 7.85526 11.2386 7.24908 8.94552 4.79493 6.25747 8.11592 12.154 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 9.25528 6.09526 6.51749 11.3822 10.1912 7.20392 11.1264 5.4601 7.345 6.14208 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 9.25528 6.09526 6.51749 11.3822 10.1912 7.20392 15.1056 10.0524 9.52987 5.95965 numMergedOcc 0
14 mol 198 unq 0 iso 0 dist 5.80867 11.1573 8.10985 16.8042 11.6493 9.18635 15.8606 12.2117 8.15936 5.72073 numMergedOcc 0
15 mol 198 unq 1 iso 0 dist 5.80867 11.1573 8.10985 16.8042 11.6493 9.18635 12.6731 10.8191 8.16598 9.94078 numMergedOcc 0
16 mol 198 unq 2 iso 0 dist 9.4363 4.75457 8.10985 12.9579 11.6493 9.18635 10.0328 12.2117 8.15936 5.72073 numMergedOcc 0
17 mol 198 unq 3 iso 0 dist 9.4363 4.75457 8.10985 12.9579 11.6493 9.18635 7.48163 10.8191 8.16598 9.94078 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 7.2527 9.87539 6.66971 10.3304 5.40359 6.4398 11.5738 13.0842 9.42618 15.3074 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 7.2527 9.87539 6.66971 7.13194 10.0191 7.32982 11.5738 13.0842 9.42618 8.85181 numMergedOcc 0
20 mol 238 unq 2 iso 0 dist 7.13194 9.87539 7.32982 7.2527 10.0191 6.66971 11.5738 8.85181 9.42618 13.0842 numMergedOcc 0
21 mol 238 unq 3 iso 0 dist 7.13194 9.87539 7.32982 10.3304 10.1648 6.4398 11.5738 8.85181 9.42618 15.3074 numMergedOcc 0
22 mol 238 unq 4 iso 0 dist 9.29203 10.4401 6.66971 7.62771 5.40359 6.4398 16.0336 13.0842 9.42618 15.3074 numMergedOcc 0
23 mol 238 unq 5 iso 0 dist 9.29203 10.4401 6.66971 7.80166 10.0191 7.32982 16.0336 13.0842 9.42618 8.85181 numMergedOcc 0
24 mol 238 unq 6 iso 0 dist 7.62771 10.4401 6.4398 9.29203 5.40359 6.66971 16.0336 15.3074 9.42618 13.0842 numMergedOcc 0
25 mol 238 unq 7 iso 0 dist 7.62771 10.4401 6.4398 7.80166 10.1648 7.32982 16.0336 15.3074 9.42618 8.85181 numMergedOcc 0
26 mol 238 unq 8 iso 0 dist 7.80166 10.4401 7.32982 9.29203 10.0191 6.66971 16.0336 8.85181 9.42618 13.0842 numMergedOcc 0
27 mol 238 unq 9 iso 0 dist 7.80166 10.4401 7.32982 7.62771 10.1648 6.4398 16.0336 8.85181 9.42618 15.3074 numMergedOcc 0
28 mol 238 unq 10 iso 0 dist 9.2521 6.12311 5.64181 8.51359 6.85126 7.61393 6.54661 10.4664 8.6597 13.3539 numMergedOcc 0
29 mol 238 unq 11 iso 0 dist 9.2521 6.12311 5.64181 8.51359 6.85126 7.61393 8.97261 11.2717 7.47235 14.7509 numMergedOcc 0
30 mol 238 unq 12 iso 0 dist 9.2521 6.12311 5.64181 8.51359 6.85126 7.61393 12.0613 5.17471 6.44735 10.7999 numMergedOcc 0
31 mol 238 unq 13 iso 0 dist 9.2521 6.12311 5.64181 8.51359 6.85126 7.61393 10.5037 5.03393 5.91208 5.49433 numMergedOcc 0
32 mol 238 unq 14 iso 0 dist 9.41975 7.3781 7.61393 12.0016 6.85126 5.64181 14.0209 13.3539 8.6597 10.4664 numMergedOcc 0
33 mol 238 unq 15 iso 0 dist 9.41975 7.3781 7.61393 12.0016 6.85126 5.64181 12.03 14.7509 7.47235 11.2717 numMergedOcc 0
34 mol 238 unq 16 iso 0 dist 9.41975 7.3781 7.61393 12.0016 6.85126 5.64181 12.5402 10.7999 6.44735 5.17471 numMergedOcc 0
35 mol 238 unq 17 iso 0 dist 9.41975 7.3781 7.61393 12.0016 6.85126 5.64181 9.14992 5.49433 5.91208 5.03393 numMergedOcc 0
36 mol 238 unq 18 iso 0 dist 8.51359 6.12311 7.61393 9.2521 6.85126 5.64181 6.54661 13.3539 8.6597 10.4664 numMergedOcc 0
37 mol 238 unq 19 iso 0 dist 8.51359 6.12311 7.61393 9.2521 6.85126 5.64181 8.97261 14.7509 7.47235 11.2717 numMergedOcc 0
38 mol 238 unq 20 iso 0 dist 8.51359 6.12311 7.61393 9.2521 6.85126 5.64181 12.0613 10.7999 6.44735 5.17471 numMergedOcc 0
39 mol 238 unq 21 iso 0 dist 8.51359 6.12311 7.61393 9.2521 6.85126 5.64181 10.5037 5.49433 5.91208 5.03393 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 9.47382 15.3317 8.55558 18.3451 9.98105 8.59697 15.0738 5.79468 6.39918 5.31048 numMergedOcc 0
