0 mol 5 unq 0 iso 0 dist 8.97274 11.3755 9.22027 10.7591 7.56229 3.33561 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.5815 5.90479 9.22027 3.91535 7.56229 3.33561 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 7.82875 10.9618 7.14537 6.94628 6.77807 4.68389 numMergedOcc 0
3 mol 10 unq 1 iso 0 dist 7.82875 9.69394 9.39486 6.94628 6.77807 7.73435 numMergedOcc 0
4 mol 29 unq 0 iso 0 dist 9.78134 11.1943 5.09702 13.1956 5.99655 3.44035 numMergedOcc 0
5 mol 53 unq 0 iso 0 dist 5.63499 7.73958 5.40489 5.65514 9.32314 9.49077 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 7.50377 6.50041 5.7369 6.89433 5.64092 3.74917 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 7.50377 6.50041 5.7369 11.7176 8.71074 10.1736 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 8.26763 4.0291 8.64934 4.13187 9.04293 5.9297 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 6.30814 4.0291 8.7515 4.13187 4.78333 5.9297 numMergedOcc 0
10 mol 79 unq 2 iso 0 dist 6.30814 4.0291 8.7515 9.13196 4.74254 11.3271 numMergedOcc 0
11 mol 79 unq 3 iso 0 dist 7.318 5.71097 8.51259 8.49975 9.21761 3.07021 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 4.73115 6.98491 5.78982 5.24671 4.94473 5.00648 numMergedOcc 0
13 mol 157 unq 0 iso 0 dist 8.9078 7.68025 8.40821 5.07066 7.91458 4.69348 numMergedOcc 0
14 mol 157 unq 1 iso 0 dist 6.07906 5.43167 8.40821 7.444 7.91458 4.69348 numMergedOcc 0
15 mol 198 unq 0 iso 0 dist 9.40433 4.58443 9.91727 10.3365 9.75417 13.1522 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 8.92597 10.023 5.03818 13.8162 7.68686 6.49396 numMergedOcc 0
17 mol 205 unq 1 iso 0 dist 8.92597 6.22981 6.40171 13.8162 7.68686 8.93955 numMergedOcc 0
18 mol 205 unq 2 iso 0 dist 7.53734 10.1222 5.03818 6.82382 7.68686 6.49396 numMergedOcc 0
19 mol 205 unq 3 iso 0 dist 7.53734 10.4922 6.40171 6.82382 7.68686 8.93955 numMergedOcc 0
20 mol 205 unq 4 iso 0 dist 9.79826 9.99561 5.03818 9.27501 7.68686 6.49396 numMergedOcc 0
21 mol 205 unq 5 iso 0 dist 9.79826 15.2328 6.40171 9.27501 7.68686 8.93955 numMergedOcc 0
22 mol 217 unq 0 iso 0 dist 8.99484 4.76575 9.37602 11.6282 6.19602 10.2731 numMergedOcc 0
23 mol 217 unq 1 iso 0 dist 8.99484 11.715 8.26522 11.6282 6.19602 4.56185 numMergedOcc 0
24 mol 222 unq 0 iso 0 dist 7.99441 6.4817 8.14294 5.63584 8.88902 10.1968 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 6.42951 13.1828 7.16209 9.21484 5.13533 5.9732 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 6.42951 10.6994 4.62936 9.21484 5.13533 3.79766 numMergedOcc 0
