0 mol 19 unq 0 iso 0 dist 8.96529 9.82581 13.4477 11.5235 8.18518 14.2971 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 9.32273 7.96214 15.1473 6.60662 8.54845 14.2601 numMergedOcc 0
2 mol 56 unq 1 iso 0 dist 7.96214 9.32273 15.1473 11.6666 8.125 18.6964 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 5.04007 6.60395 7.08944 5.82571 6.87176 5.57389 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 5.04007 6.60395 7.08944 8.48982 7.45675 13.48 numMergedOcc 0
5 mol 68 unq 2 iso 0 dist 6.60395 5.04007 7.08944 5.82571 5.57389 6.87176 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.08674 7.52544 10.0928 9.08836 4.83274 11.7544 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 8.08674 8.33694 10.5047 9.08836 4.83274 7.89214 numMergedOcc 0
8 mol 76 unq 2 iso 0 dist 8.33694 7.52544 9.19938 9.08836 7.89214 11.7544 numMergedOcc 0
9 mol 76 unq 3 iso 0 dist 8.33694 8.08674 10.5047 9.08836 7.89214 4.83274 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 8.25015 8.80616 16.4456 6.6622 8.19156 14.4632 numMergedOcc 0
11 mol 114 unq 1 iso 0 dist 8.25015 8.80616 16.4456 12.4364 9.54589 20.3049 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 5.2929 6.17589 7.12394 6.06993 8.93552 6.20658 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 5.2929 6.17589 7.12394 5.29965 8.35604 7.83568 numMergedOcc 0
14 mol 115 unq 2 iso 0 dist 6.17589 5.2929 7.12394 6.06993 6.20658 8.93552 numMergedOcc 0
15 mol 115 unq 3 iso 0 dist 6.17589 5.2929 7.12394 5.29965 7.83568 8.35604 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 9.64006 9.66105 14.0751 15.7646 8.9077 14.9746 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 9.86201 9.02319 17.0154 5.30529 7.25658 10.2166 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 9.98041 8.43646 10.1612 6.00315 6.96379 11.8745 numMergedOcc 0
19 mol 271 unq 0 iso 0 dist 8.99843 9.01599 5.54816 5.55947 8.32351 11.4211 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 6.92271 9.60879 11.3688 6.29035 9.84188 15.0284 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 6.92271 9.60879 11.3688 4.83355 8.35794 14.2462 numMergedOcc 0
22 mol 281 unq 0 iso 0 dist 9.83857 9.53816 7.20467 7.12638 9.48968 9.64422 numMergedOcc 0
23 mol 281 unq 1 iso 0 dist 9.53816 9.83857 7.20467 7.12638 9.64422 9.48968 numMergedOcc 0
