0 mol 0 unq 0 iso 0 dist 8.82652 7.48581 6.94943 12.7669 6.0225 9.19007 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.14598 13.674 8.24948 10.4452 5.11636 6.72502 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.0979 12.698 7.24352 19.1124 10.8828 9.93832 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 9.0979 12.698 7.24352 11.7216 5.07458 8.60739 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 7.80026 9.70283 7.17026 6.46655 6.08003 8.64015 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 8.86846 11.5674 8.4965 12.411 5.03039 5.72642 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 5.9959 8.23536 9.05336 10.2321 6.11469 8.56003 numMergedOcc 0
7 mol 152 unq 0 iso 0 dist 9.17216 12.755 7.1069 13.9365 4.94983 8.35555 numMergedOcc 0
8 mol 152 unq 1 iso 0 dist 9.40483 6.79236 7.1069 13.1463 4.94983 8.35555 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 9.67711 15.0267 8.999 13.1449 4.00127 9.11712 numMergedOcc 0
10 mol 195 unq 0 iso 0 dist 7.75518 9.48981 7.87972 11.7641 11.9954 6.60567 numMergedOcc 0
11 mol 195 unq 1 iso 0 dist 7.75518 9.48981 7.87972 14.2773 8.04534 7.62942 numMergedOcc 0
12 mol 224 unq 0 iso 0 dist 8.57781 15.7052 8.54702 13.3678 5.13732 8.37597 numMergedOcc 0
13 mol 224 unq 1 iso 0 dist 5.36326 6.23345 8.54702 7.04127 5.13732 8.37597 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 8.94981 6.78745 9.87668 14.0856 17.3148 8.87609 numMergedOcc 0
15 mol 225 unq 1 iso 0 dist 5.90986 6.78745 8.42121 14.0856 13.3773 8.87609 numMergedOcc 0
16 mol 225 unq 2 iso 0 dist 7.50697 6.78745 4.98402 14.0856 9.9875 8.87609 numMergedOcc 0
17 mol 229 unq 0 iso 0 dist 7.9433 5.77507 6.42694 12.4161 11.0437 8.92743 numMergedOcc 0
18 mol 229 unq 1 iso 0 dist 7.9433 5.77507 6.42694 11.2816 5.66641 8.08082 numMergedOcc 0
19 mol 229 unq 2 iso 0 dist 7.9433 5.77507 6.42694 11.1915 7.46815 5.77318 numMergedOcc 0
20 mol 229 unq 3 iso 0 dist 7.9433 5.77507 6.42694 9.92027 6.62766 8.19603 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 9.67281 11.5358 6.53286 13.4635 4.48415 5.52379 numMergedOcc 0
22 mol 251 unq 0 iso 0 dist 6.67075 4.79743 6.42747 9.96678 4.86046 8.01198 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 4.93584 6.94588 8.20485 7.72749 4.74189 7.71657 numMergedOcc 0
24 mol 266 unq 1 iso 0 dist 5.60245 9.55763 8.20485 10.0438 4.74189 7.71657 numMergedOcc 0
