0 mol 7 unq 0 iso 0 dist 5.51421 10.6104 8.41585 11.3302 7.15287 6.22892 14.9934 14.7759 9.68596 15.5737 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 6.89666 4.73237 4.61088 10.2222 5.9863 6.40513 10.6838 6.86684 5.96346 4.54105 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 13.6121 5.76725 6.35095 13.5984 5.59311 8.70827 8.7316 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.54519 13.2653 5.54419 13.6121 5.76725 6.35095 18.4559 12.176 6.73939 10.9987 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 9.54519 5.80023 7.36323 10.5 5.75653 5.87895 13.5984 5.59311 9.12854 5.076 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 7.7978 6.8958 7.17396 10.9901 8.94845 6.46655 12.9886 6.90592 8.08618 7.02802 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 9.55751 5.85228 7.17396 9.41952 8.94845 6.46655 13.0785 6.90592 8.08618 7.02802 numMergedOcc 0
7 mol 75 unq 0 iso 0 dist 6.95595 12.7957 7.79912 13.6061 6.77761 7.16583 18.3917 11.4997 9.81166 6.05353 numMergedOcc 0
8 mol 75 unq 1 iso 0 dist 6.95595 12.7957 7.79912 10.4728 5.06305 7.118 18.3917 11.4997 9.81166 9.08979 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 9.65047 5.69671 8.03644 10.6171 15.4217 8.26838 9.49995 11.4333 9.49454 9.61054 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 6.18763 5.3154 6.18601 9.82219 4.99061 6.85677 9.34823 5.13589 6.73586 5.00632 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 9.84952 12.9554 7.63312 16.849 12.5935 9.63295 13.401 5.63555 5.9176 14.1039 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 9.84952 12.9554 7.63312 16.849 12.5935 9.63295 12.7332 7.20191 6.41453 5.39949 numMergedOcc 0
13 mol 210 unq 0 iso 0 dist 8.62103 3.84723 6.18308 5.33103 11.5481 6.53736 10.7279 5.87279 7.10826 11.3924 numMergedOcc 0
14 mol 210 unq 1 iso 0 dist 8.62103 3.84723 6.18308 9.01301 8.72811 8.18851 10.7279 5.87279 7.10826 8.48795 numMergedOcc 0
15 mol 222 unq 0 iso 0 dist 7.85877 4.82768 7.21333 11.4498 9.97859 8.69148 5.89818 7.75656 7.67576 8.56453 numMergedOcc 0
16 mol 222 unq 1 iso 0 dist 7.85877 4.82768 7.21333 11.4498 9.97859 8.69148 9.32543 16.0949 9.82371 13.6076 numMergedOcc 0
17 mol 231 unq 0 iso 0 dist 8.01942 8.55683 8.40182 14.4754 10.2117 9.98232 15.781 12.1512 7.79066 11.1156 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 9.29752 9.60401 8.27212 14.7783 10.134 7.47238 7.83422 8.80479 9.05071 15.5413 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 5.90645 10.4985 8.13497 12.4319 10.908 6.96379 13.1095 8.41846 7.98231 7.39099 numMergedOcc 0
