0 mol 28 unq 0 iso 0 dist 7.7871 11.0435 9.2146 14.4056 8.89273 9.4148 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 7.7871 11.0435 9.2146 14.203 8.10455 6.87842 numMergedOcc 0
2 mol 29 unq 0 iso 0 dist 6.80828 5.45544 5.99655 15.2186 13.1956 9.78134 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 7.88072 4.5844 8.67216 8.204 3.90342 7.13565 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 7.89306 6.23577 4.64187 11.4403 3.63113 7.84077 numMergedOcc 0
5 mol 33 unq 1 iso 0 dist 8.36697 6.23577 7.95437 11.4403 5.54858 7.84077 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 8.26877 12.0497 7.78689 13.3536 6.44604 8.8645 numMergedOcc 0
7 mol 48 unq 1 iso 0 dist 7.99434 5.76698 7.78689 5.35252 6.44604 8.8645 numMergedOcc 0
8 mol 48 unq 2 iso 0 dist 7.49794 11.3706 7.70645 12.5275 6.4561 8.3491 numMergedOcc 0
9 mol 48 unq 3 iso 0 dist 8.10222 5.75684 7.70645 5.06188 6.4561 8.3491 numMergedOcc 0
10 mol 68 unq 0 iso 0 dist 5.26566 9.4465 8.71074 15.071 11.7176 7.50377 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 6.65972 11.5374 9.04293 8.64686 4.13187 8.26763 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 6.65972 5.21981 4.78333 8.64686 4.13187 6.30814 numMergedOcc 0
13 mol 79 unq 2 iso 0 dist 4.2253 5.21981 4.74254 8.64686 9.13196 6.30814 numMergedOcc 0
14 mol 83 unq 0 iso 0 dist 7.69755 4.93836 5.35861 7.2118 4.48523 5.25361 numMergedOcc 0
15 mol 83 unq 1 iso 0 dist 9.64197 8.82563 5.35861 11.3405 4.48523 5.25361 numMergedOcc 0
16 mol 91 unq 0 iso 0 dist 8.91998 5.09341 7.71625 8.91354 10.8497 9.84288 numMergedOcc 0
17 mol 157 unq 0 iso 0 dist 8.36016 5.332 7.91458 6.8976 5.07066 8.9078 numMergedOcc 0
18 mol 157 unq 1 iso 0 dist 8.36016 5.332 7.91458 10.6584 7.444 6.07906 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 8.83628 6.31671 7.68686 10.7551 13.8162 8.92597 numMergedOcc 0
20 mol 205 unq 1 iso 0 dist 8.83628 6.31671 7.68686 6.43519 6.82382 7.53734 numMergedOcc 0
21 mol 205 unq 2 iso 0 dist 8.83628 6.31671 7.68686 12.9615 9.27501 9.79826 numMergedOcc 0
22 mol 224 unq 0 iso 0 dist 6.06793 6.97024 7.99036 8.8113 5.77577 7.71863 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 6.48382 7.90149 8.20376 9.0836 7.63149 8.9221 numMergedOcc 0
24 mol 266 unq 1 iso 0 dist 6.48382 7.90149 8.20376 9.62494 4.39553 9.51145 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 4.1545 6.65084 5.13533 8.15119 9.21484 6.42951 numMergedOcc 0
