0 mol 95 unq 0 iso 0 dist 6.12086 13.7041 9.03572 10.728 4.73066 7.51733 numMergedOcc 0
1 mol 95 unq 1 iso 0 dist 6.12086 11.3093 8.83255 10.728 4.73066 9.01607 numMergedOcc 0
2 mol 95 unq 2 iso 0 dist 7.93544 11.3277 9.03572 10.0034 4.73066 7.51733 numMergedOcc 0
3 mol 95 unq 3 iso 0 dist 7.93544 5.822 8.83255 10.0034 4.73066 9.01607 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 5.43031 5.21064 7.71338 7.80156 4.69658 6.87434 numMergedOcc 0
5 mol 130 unq 0 iso 0 dist 9.09856 7.87833 9.28393 9.38079 6.00473 5.92733 numMergedOcc 0
6 mol 142 unq 0 iso 0 dist 6.90378 8.11604 9.2313 9.53873 4.05822 8.04118 numMergedOcc 0
7 mol 142 unq 1 iso 0 dist 6.90378 5.39629 7.73169 9.53873 4.05822 8.39035 numMergedOcc 0
8 mol 142 unq 2 iso 0 dist 7.01955 8.11604 5.31024 9.53873 4.7832 8.04118 numMergedOcc 0
9 mol 142 unq 3 iso 0 dist 7.01955 5.39629 7.26382 9.53873 4.7832 8.39035 numMergedOcc 0
10 mol 169 unq 0 iso 0 dist 8.58834 4.99603 8.49164 12.8063 17.056 9.37946 numMergedOcc 0
11 mol 169 unq 1 iso 0 dist 8.58834 4.99603 8.49164 8.97961 13.8168 9.13646 numMergedOcc 0
12 mol 169 unq 2 iso 0 dist 8.58834 4.99603 8.49164 5.51907 11.1511 8.34216 numMergedOcc 0
13 mol 180 unq 0 iso 0 dist 8.31244 6.84196 9.62337 10.2774 4.38407 9.63576 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 6.40983 9.6739 7.26832 12.8281 13.3822 7.13783 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 7.08106 5.42209 6.18308 8.90428 4.29623 6.85824 numMergedOcc 0
16 mol 265 unq 0 iso 0 dist 7.27446 8.07916 8.4218 5.98618 7.71667 5.7944 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 8.61945 9.21781 9.7748 12.0481 7.75371 5.69112 numMergedOcc 0
18 mol 277 unq 1 iso 0 dist 8.61945 9.21781 9.7748 15.2574 11.3546 7.2091 numMergedOcc 0
