0 mol 12 unq 0 iso 0 dist 9.42122 7.86307 4.4802 4.12573 8.01372 4.76018 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 9.42122 7.86307 4.4802 5.83262 9.57429 7.13046 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.4196 9.63008 5.38281 5.3464 10.2725 7.46994 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 7.61513 8.07958 5.38281 6.19026 10.2725 7.46994 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 9.23164 9.31622 10.078 12.7532 15.3778 9.32552 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 7.52742 7.46478 12.0467 4.32784 10.6441 6.05495 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 8.55624 6.18729 5.95362 9.68856 10.9631 7.09065 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 5.68841 9.02541 4.10604 11.296 10.4424 9.10794 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 9.1717 7.6461 9.64591 9.90045 14.1512 5.26989 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 9.1717 7.6461 9.64591 10.0807 11.983 7.76442 numMergedOcc 0
10 mol 141 unq 2 iso 0 dist 9.1717 6.96294 4.41049 4.46354 7.57714 5.52683 numMergedOcc 0
11 mol 141 unq 3 iso 0 dist 8.8319 7.6461 10.6438 9.90045 15.5018 5.26989 numMergedOcc 0
12 mol 141 unq 4 iso 0 dist 8.8319 7.6461 10.6438 10.0807 15.8945 7.76442 numMergedOcc 0
13 mol 141 unq 5 iso 0 dist 8.8319 9.76389 4.41049 6.74216 7.57714 5.52683 numMergedOcc 0
14 mol 153 unq 0 iso 0 dist 8.92147 7.03196 6.21045 11.3441 13.9252 9.75856 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 5.52744 7.55974 4.32025 5.48326 7.77211 8.97471 numMergedOcc 0
16 mol 280 unq 0 iso 0 dist 6.42515 7.10608 10.153 6.58462 9.33975 5.80452 numMergedOcc 0
17 mol 280 unq 1 iso 0 dist 6.42515 7.22993 4.3714 6.58462 9.33975 7.82157 numMergedOcc 0
18 mol 280 unq 2 iso 0 dist 6.42515 7.22993 4.3714 4.4018 6.37362 9.18069 numMergedOcc 0
19 mol 280 unq 3 iso 0 dist 9.8581 7.10608 10.2197 6.58462 7.18775 5.80452 numMergedOcc 0
20 mol 280 unq 4 iso 0 dist 9.8581 7.22993 5.90982 6.58462 7.18775 7.82157 numMergedOcc 0
21 mol 280 unq 5 iso 0 dist 9.8581 7.22993 5.90982 4.4018 9.9394 9.18069 numMergedOcc 0
