0 mol 68 unq 0 iso 0 dist 8.23849 10.8073 6.40693 3.89663 8.05514 10.3533 numMergedOcc 0
1 mol 68 unq 1 iso 0 dist 6.4776 9.58376 6.40693 12.6908 8.05514 10.3533 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.39494 13.4867 7.62738 6.02262 7.69861 13.0054 numMergedOcc 0
3 mol 93 unq 0 iso 0 dist 8.16531 14.4018 7.62611 6.38065 7.8435 14.9656 numMergedOcc 0
4 mol 93 unq 1 iso 0 dist 8.16531 14.4018 7.62611 9.63231 5.99269 11.5397 numMergedOcc 0
5 mol 93 unq 2 iso 0 dist 8.16531 14.4018 7.62611 13.1685 5.71763 5.43515 numMergedOcc 0
6 mol 93 unq 3 iso 0 dist 8.98593 7.04959 7.62611 16.5618 7.8435 14.9656 numMergedOcc 0
7 mol 93 unq 4 iso 0 dist 8.98593 7.04959 7.62611 14.6083 5.99269 11.5397 numMergedOcc 0
8 mol 93 unq 5 iso 0 dist 8.98593 7.04959 7.62611 4.18667 5.71763 5.43515 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 8.02258 5.63251 4.46777 3.60945 6.77921 3.98068 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 8.02258 12.1023 6.94988 3.60945 6.77921 10.1551 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 6.64084 4.57581 6.76055 9.87921 6.11331 11.3715 numMergedOcc 0
12 mol 158 unq 1 iso 0 dist 6.64084 11.2833 9.36343 9.87921 6.11331 14.1217 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 9.27256 4.93161 7.58035 8.69327 7.86766 9.03836 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 8.7062 4.79372 5.95375 9.57152 7.53395 7.25932 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 5.6524 4.36112 5.57779 13.7436 9.14831 12.2656 numMergedOcc 0
16 mol 210 unq 1 iso 0 dist 5.6524 10.7545 7.05649 13.7436 9.14831 7.76842 numMergedOcc 0
17 mol 210 unq 2 iso 0 dist 5.6524 10.4519 6.78579 13.7436 9.14831 3.93305 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 5.8679 10.6737 9.32945 5.66276 8.04838 6.95765 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 5.98014 10.3035 9.08955 11.1253 7.97027 4.67663 numMergedOcc 0
20 mol 222 unq 1 iso 0 dist 5.98014 10.3035 9.08955 6.07403 6.81955 9.32357 numMergedOcc 0
21 mol 222 unq 2 iso 0 dist 5.98014 10.3035 9.08955 5.10026 4.9876 6.37382 numMergedOcc 0
22 mol 222 unq 3 iso 0 dist 5.98014 13.4152 8.88664 11.1253 7.97027 4.00869 numMergedOcc 0
23 mol 222 unq 4 iso 0 dist 5.98014 13.4152 8.88664 6.07403 6.81955 12.2233 numMergedOcc 0
24 mol 222 unq 5 iso 0 dist 5.98014 13.4152 8.88664 5.10026 4.9876 9.60662 numMergedOcc 0
25 mol 222 unq 6 iso 0 dist 5.98014 11.5963 7.16819 11.1253 7.97027 6.23984 numMergedOcc 0
26 mol 222 unq 7 iso 0 dist 5.98014 11.5963 7.16819 6.07403 6.81955 8.87178 numMergedOcc 0
27 mol 222 unq 8 iso 0 dist 5.98014 11.5963 7.16819 5.10026 4.9876 7.13962 numMergedOcc 0
28 mol 230 unq 0 iso 0 dist 6.86851 11.277 8.34416 5.84974 7.07833 6.1373 numMergedOcc 0
29 mol 230 unq 1 iso 0 dist 6.86851 9.16476 6.34832 5.84974 7.07833 6.19535 numMergedOcc 0
30 mol 230 unq 2 iso 0 dist 9.88392 6.41577 8.34416 9.40036 7.07833 6.1373 numMergedOcc 0
31 mol 230 unq 3 iso 0 dist 9.88392 10.5257 6.34832 9.40036 7.07833 6.19535 numMergedOcc 0
32 mol 279 unq 0 iso 0 dist 9.56438 11.1913 9.30921 5.75039 5.8304 11.0079 numMergedOcc 0
33 mol 279 unq 1 iso 0 dist 9.56438 11.1913 9.30921 15.4744 7.37478 9.53157 numMergedOcc 0
