0 mol 7 unq 0 iso 0 dist 7.5706 8.43473 6.04832 6.7985 5.82034 6.14469 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.28925 5.03847 6.04832 9.68596 5.82034 6.14469 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.70159 13.8829 6.04832 12.9581 5.82034 6.14469 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 7.47838 11.8617 7.2707 15.8319 12.0297 7.35972 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 7.47838 9.55673 8.99816 15.8319 12.0297 9.93542 numMergedOcc 0
5 mol 15 unq 0 iso 0 dist 7.876 4.29582 9.41935 7.48342 6.25997 6.03257 numMergedOcc 0
6 mol 15 unq 1 iso 0 dist 8.63502 8.72342 9.41935 11.2317 6.25997 6.03257 numMergedOcc 0
7 mol 17 unq 0 iso 0 dist 8.07518 5.12703 5.64906 12.567 8.85817 7.92012 numMergedOcc 0
8 mol 20 unq 0 iso 0 dist 9.8099 10.0815 6.85224 12.3294 4.53009 4.74809 numMergedOcc 0
9 mol 20 unq 1 iso 0 dist 9.8099 10.0815 6.85224 7.51452 5.095 5.86181 numMergedOcc 0
10 mol 20 unq 2 iso 0 dist 9.8099 13.457 8.04657 12.3294 4.53009 7.43882 numMergedOcc 0
11 mol 20 unq 3 iso 0 dist 9.8099 13.457 8.04657 7.51452 5.095 6.3253 numMergedOcc 0
12 mol 21 unq 0 iso 0 dist 9.35137 10.6971 6.61889 10.9364 5.1525 8.60289 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 7.48658 8.70803 9.81484 5.9465 6.60364 6.77241 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 7.48658 9.52327 5.77527 5.9465 6.60364 5.50508 numMergedOcc 0
15 mol 92 unq 2 iso 0 dist 7.20279 7.52639 9.81484 9.95342 6.60364 6.77241 numMergedOcc 0
16 mol 92 unq 3 iso 0 dist 7.20279 7.34683 5.77527 9.95342 6.60364 5.50508 numMergedOcc 0
17 mol 100 unq 0 iso 0 dist 4.5985 5.42531 6.84692 7.80975 4.71426 9.5057 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 4.5985 4.86592 5.74152 7.80975 4.71426 5.75014 numMergedOcc 0
19 mol 100 unq 2 iso 0 dist 8.20656 8.4128 6.84692 7.10378 4.71426 9.5057 numMergedOcc 0
20 mol 100 unq 3 iso 0 dist 8.20656 7.96533 5.74152 7.10378 4.71426 5.75014 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 9.64695 12.538 6.49688 17.1879 14.6184 8.95662 numMergedOcc 0
22 mol 133 unq 1 iso 0 dist 4.51266 4.54648 6.49688 10.9581 14.6184 8.95662 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 8.47008 5.63555 6.2176 11.9764 8.51662 7.22883 numMergedOcc 0
24 mol 194 unq 0 iso 0 dist 7.61316 10.286 5.67863 15.6852 9.82808 6.38324 numMergedOcc 0
25 mol 194 unq 1 iso 0 dist 7.61316 15.0555 9.42308 15.6852 9.82808 6.1886 numMergedOcc 0
26 mol 237 unq 0 iso 0 dist 8.8949 10.6582 8.20201 9.20822 10.9723 8.10254 numMergedOcc 0
27 mol 244 unq 0 iso 0 dist 7.27258 12.4021 6.61951 10.7008 5.01275 6.22122 numMergedOcc 0
28 mol 244 unq 1 iso 0 dist 5.29811 5.17744 6.61951 5.50492 5.01275 6.22122 numMergedOcc 0
29 mol 256 unq 0 iso 0 dist 9.72168 11.578 6.65749 11.9549 4.51747 4.98734 numMergedOcc 0
30 mol 256 unq 1 iso 0 dist 9.72168 11.578 6.65749 13.0251 4.74632 6.33496 numMergedOcc 0
31 mol 256 unq 2 iso 0 dist 9.72168 7.7384 4.73652 11.9549 4.51747 6.37963 numMergedOcc 0
32 mol 256 unq 3 iso 0 dist 9.72168 7.7384 4.73652 13.0251 4.74632 6.00636 numMergedOcc 0
33 mol 273 unq 0 iso 0 dist 9.82018 4.60101 6.83684 8.49177 5.91142 7.16346 numMergedOcc 0
34 mol 273 unq 1 iso 0 dist 6.70271 9.25493 8.25037 11.6152 6.54339 7.16346 numMergedOcc 0
35 mol 273 unq 2 iso 0 dist 6.08532 7.42724 8.25037 10.6031 6.54339 7.16346 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 6.92434 5.29529 5.0002 9.85289 4.67674 6.88827 numMergedOcc 0
37 mol 274 unq 1 iso 0 dist 6.92434 5.29529 5.0002 14.1515 11.1431 9.16942 numMergedOcc 0
38 mol 280 unq 0 iso 0 dist 8.65577 6.19336 8.64557 9.76787 7.52635 6.73712 numMergedOcc 0
39 mol 280 unq 1 iso 0 dist 8.65577 6.19336 8.64557 10.7346 4.71359 9.35704 numMergedOcc 0
