0 mol 24 unq 0 iso 0 dist 8.20058 13.4836 8.60554 20.0654 14.012 6.72323 26.0032 18.188 14.6305 9.85784 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.20058 13.4836 8.60554 20.0654 14.012 6.72323 25.8837 18.4146 14.3224 9.87996 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.22151 6.63966 8.50222 10.2461 9.34396 6.25843 7.3252 10.9703 3.904 5.20109 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 6.22122 6.63966 7.55264 10.2461 10.8498 6.25843 7.3252 10.3338 3.904 5.20109 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 9.00902 8.07487 5.73743 15.3154 10.1024 8.66165 18.2113 10.6846 10.6223 8.77355 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 8.22596 6.21679 7.80975 12.0939 5.42531 9.5057 13.0711 9.21662 12.48 6.59691 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 6.23966 6.47522 6.28565 11.0726 7.29399 7.59327 9.98148 11.8464 8.3321 9.35533 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 5.57904 12.4426 7.80532 9.95528 5.71679 6.40575 12.487 11.988 15.0575 9.0176 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 9.47675 9.00056 9.97343 12.3922 10.1432 6.83404 11.1983 11.5913 10.0208 5.92302 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 7.13441 8.99392 8.24693 13.7696 12.6853 5.25109 17.9175 18.9149 11.4851 7.47964 numMergedOcc 0
10 mol 171 unq 1 iso 0 dist 7.13441 5.68701 6.71356 13.7696 12.6853 8.21618 17.9175 18.9149 12.9811 7.47964 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 8.90247 6.56225 6.2479 11.3392 4.43096 7.32087 11.4954 10.0802 5.3698 9.06571 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 8.90247 6.56225 6.2479 11.3392 4.43096 7.32087 11.9701 9.76212 6.39406 7.35884 numMergedOcc 0
13 mol 181 unq 2 iso 0 dist 8.90247 6.56225 6.2479 13.656 8.04639 8.86197 11.4954 10.0802 5.3698 9.88897 numMergedOcc 0
14 mol 181 unq 3 iso 0 dist 6.58792 6.56225 6.22122 11.3392 6.06566 7.32087 11.4954 10.0333 5.3698 9.06571 numMergedOcc 0
15 mol 181 unq 4 iso 0 dist 6.58792 6.56225 6.22122 11.3392 6.06566 7.32087 11.9701 8.59874 6.39406 7.35884 numMergedOcc 0
16 mol 181 unq 5 iso 0 dist 6.58792 6.56225 6.22122 13.656 13.0409 8.86197 11.4954 10.0333 5.3698 9.88897 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 8.89211 7.46856 8.50102 12.8476 12.3508 9.8664 9.53852 11.4909 4.68548 6.59036 numMergedOcc 0
18 mol 232 unq 1 iso 0 dist 9.95045 4.95971 9.05071 11.8822 4.9377 9.8664 13.3209 6.71524 11.2243 9.9183 numMergedOcc 0
