0 mol 79 unq 0 iso 0 dist 9.04935 4.82573 5.55798 13.2324 6.05149 8.64686 20.6059 13.9046 15.8477 8.01516 numMergedOcc 0
1 mol 99 unq 0 iso 0 dist 7.28774 6.04335 5.61946 12.4775 6.02095 8.68674 10.8621 8.81282 4.95662 8.44207 numMergedOcc 0
2 mol 103 unq 0 iso 0 dist 9.64736 3.9634 8.23356 8.10965 5.86578 6.56481 8.1253 12.5739 6.78021 7.52954 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 9.86691 8.09812 6.9268 13.4646 8.75242 5.79195 8.78252 12.6339 5.9683 9.96416 numMergedOcc 0
4 mol 133 unq 1 iso 0 dist 9.86691 8.09812 6.9268 8.72732 14.0828 9.2759 8.78252 12.6339 5.9683 7.17051 numMergedOcc 0
5 mol 133 unq 2 iso 0 dist 9.86691 8.09812 6.9268 14.5023 15.4372 8.76088 8.78252 12.6339 5.9683 5.9962 numMergedOcc 0
6 mol 133 unq 3 iso 0 dist 9.86691 8.09812 6.9268 14.5023 15.4372 8.76088 18.254 19.5391 13.8877 8.61448 numMergedOcc 0
7 mol 217 unq 0 iso 0 dist 9.51059 5.1774 7.80898 8.29482 4.10975 7.60302 9.34274 10.7481 6.44163 8.60259 numMergedOcc 0
8 mol 226 unq 0 iso 0 dist 6.17825 8.7629 9.03261 11.5161 9.96567 8.74399 17.3291 17.2529 12.983 7.54614 numMergedOcc 0
9 mol 258 unq 0 iso 0 dist 8.6856 5.60485 8.17026 9.44669 6.30651 5.53369 14.7095 15.4586 10.7968 9.46746 numMergedOcc 0
10 mol 258 unq 1 iso 0 dist 8.6856 5.60485 8.17026 9.44669 6.30651 5.53369 9.9782 12.2635 4.91726 7.31698 numMergedOcc 0
11 mol 258 unq 2 iso 0 dist 8.6856 4.22701 8.43002 9.44669 6.30651 8.57274 14.7095 15.4586 12.9568 9.46746 numMergedOcc 0
12 mol 258 unq 3 iso 0 dist 8.6856 4.22701 8.43002 9.44669 6.30651 8.57274 9.9782 12.2635 10.693 7.31698 numMergedOcc 0
13 mol 265 unq 0 iso 0 dist 8.09021 15.4423 9.94957 12.4357 4.47698 7.52632 16.5489 11.4903 10.531 9.81689 numMergedOcc 0
14 mol 265 unq 1 iso 0 dist 6.98451 11.3503 9.94957 9.56106 4.47698 7.52632 9.76011 11.4903 10.531 9.81689 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 8.00278 5.53565 7.3055 9.4961 14.487 9.39714 7.46031 11.5029 4.39397 9.36806 numMergedOcc 0
16 mol 266 unq 1 iso 0 dist 8.00278 5.53565 7.3055 9.4961 14.487 9.39714 12.0129 16.638 9.47559 7.51446 numMergedOcc 0
17 mol 266 unq 2 iso 0 dist 6.13722 4.19938 7.3055 8.3978 14.487 9.39714 7.87257 11.5029 4.39397 9.36806 numMergedOcc 0
18 mol 266 unq 3 iso 0 dist 6.13722 4.19938 7.3055 8.3978 14.487 9.39714 11.6181 16.638 9.47559 7.51446 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 7.90634 5.05806 7.3388 9.04355 5.66584 6.96774 12.8871 9.39409 8.37461 6.76192 numMergedOcc 0
20 mol 287 unq 1 iso 0 dist 7.90634 11.1974 6.96248 9.04355 5.66584 7.14859 12.8871 9.39409 4.03583 6.76192 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 7.90634 5.05806 7.3388 9.04355 5.66584 6.96774 12.8871 9.39409 8.37461 6.76192 numMergedOcc 0
22 mol 288 unq 1 iso 0 dist 7.90634 11.1974 6.96248 9.04355 5.66584 7.14859 12.8871 9.39409 4.03583 6.76192 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 7.90634 5.05806 7.3388 9.04355 5.66584 6.96774 12.8871 9.39409 8.37461 6.76192 numMergedOcc 0
24 mol 289 unq 1 iso 0 dist 7.90634 11.1974 6.96248 9.04355 5.66584 7.14859 12.8871 9.39409 4.03583 6.76192 numMergedOcc 0
