0 mol 5 unq 0 iso 0 dist 9.17088 8.97274 12.8419 6.86923 12.5321 3.14155 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 9.20429 8.73588 4.02037 9.24708 6.91496 4.9947 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 5.41831 9.06612 7.2184 6.42443 5.5517 6.41526 numMergedOcc 0
3 mol 63 unq 1 iso 0 dist 5.41831 6.04797 4.27178 6.42443 5.5517 9.15959 numMergedOcc 0
4 mol 63 unq 2 iso 0 dist 5.41831 8.88058 11.6765 6.42443 5.5517 14.8894 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 8.0139 8.4416 5.80367 6.64921 3.83059 4.69555 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 8.0139 7.79538 10.1442 6.64921 3.83059 6.49084 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 6.5087 9.35701 4.89159 8.95465 4.62865 6.6937 numMergedOcc 0
8 mol 158 unq 0 iso 0 dist 9.99005 7.68074 10.115 7.76952 3.45021 7.53461 numMergedOcc 0
9 mol 158 unq 1 iso 0 dist 9.99005 7.68074 10.115 9.98554 18.84 13.5303 numMergedOcc 0
10 mol 158 unq 2 iso 0 dist 9.99005 9.1854 17.6575 7.76952 3.45021 15.3696 numMergedOcc 0
11 mol 158 unq 3 iso 0 dist 9.99005 9.1854 17.6575 9.98554 18.84 5.09517 numMergedOcc 0
12 mol 168 unq 0 iso 0 dist 8.41715 8.18217 4.67135 5.64732 3.42733 6.06538 numMergedOcc 0
13 mol 168 unq 1 iso 0 dist 8.41715 8.18217 4.67135 5.52214 8.91606 10.919 numMergedOcc 0
14 mol 168 unq 2 iso 0 dist 8.41715 8.18217 4.67135 5.80055 11.8148 13.0096 numMergedOcc 0
15 mol 168 unq 3 iso 0 dist 8.41715 8.18217 4.67135 7.44481 11.886 14.104 numMergedOcc 0
16 mol 168 unq 4 iso 0 dist 8.41715 5.51167 13.2594 5.64732 3.42733 9.99868 numMergedOcc 0
17 mol 168 unq 5 iso 0 dist 8.41715 5.51167 13.2594 5.52214 8.91606 6.91388 numMergedOcc 0
18 mol 168 unq 6 iso 0 dist 8.41715 5.51167 13.2594 5.80055 11.8148 3.5168 numMergedOcc 0
19 mol 168 unq 7 iso 0 dist 8.41715 5.51167 13.2594 7.44481 11.886 5.43054 numMergedOcc 0
20 mol 168 unq 8 iso 0 dist 7.79893 8.18217 9.87321 5.64732 6.57536 6.06538 numMergedOcc 0
21 mol 168 unq 9 iso 0 dist 7.79893 8.18217 9.87321 5.52214 4.07587 10.919 numMergedOcc 0
22 mol 168 unq 10 iso 0 dist 7.79893 8.18217 9.87321 5.80055 10.612 13.0096 numMergedOcc 0
23 mol 168 unq 11 iso 0 dist 7.79893 8.18217 9.87321 7.44481 9.28226 14.104 numMergedOcc 0
24 mol 168 unq 12 iso 0 dist 7.79893 5.51167 10.7557 5.64732 6.57536 9.99868 numMergedOcc 0
25 mol 168 unq 13 iso 0 dist 7.79893 5.51167 10.7557 5.52214 4.07587 6.91388 numMergedOcc 0
26 mol 168 unq 14 iso 0 dist 7.79893 5.51167 10.7557 5.80055 10.612 3.5168 numMergedOcc 0
27 mol 168 unq 15 iso 0 dist 7.79893 5.51167 10.7557 7.44481 9.28226 5.43054 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 6.23932 9.79826 8.97813 9.21286 7.35363 15.4119 numMergedOcc 0
29 mol 244 unq 0 iso 0 dist 9.21656 8.93589 6.1597 9.45199 8.49798 4.99117 numMergedOcc 0
30 mol 244 unq 1 iso 0 dist 9.21656 8.93589 6.1597 9.07512 9.54706 7.28456 numMergedOcc 0
31 mol 271 unq 0 iso 0 dist 9.42899 9.86908 11.7592 9.97897 10.1601 3.38326 numMergedOcc 0
32 mol 277 unq 0 iso 0 dist 4.81916 6.42951 3.97543 9.07744 7.75371 10.5214 numMergedOcc 0
