0 mol 112 unq 0 iso 0 dist 5.81552 4.56801 9.90769 10.626 9.60462 13.4578 7.79791 8.729 7.63956 11.0629 numMergedOcc 0
1 mol 112 unq 1 iso 0 dist 5.81552 4.56801 9.90769 5.27363 7.45389 6.69178 7.79791 8.729 7.63956 5.48848 numMergedOcc 0
2 mol 134 unq 0 iso 0 dist 7.97208 12.0402 8.86784 12.5576 6.54501 5.15251 11.5403 5.53031 6.20072 5.35679 numMergedOcc 0
3 mol 134 unq 1 iso 0 dist 7.97208 12.0402 8.86784 9.52819 6.49416 6.65283 11.5403 5.53031 6.20072 8.46636 numMergedOcc 0
4 mol 204 unq 0 iso 0 dist 7.7292 15.6012 9.44947 13.4646 7.10633 10.5243 12.0796 6.85441 4.80028 8.17229 numMergedOcc 0
5 mol 204 unq 1 iso 0 dist 7.7292 15.6012 9.44947 9.54287 8.51516 10.2677 12.0796 6.85441 4.80028 5.74707 numMergedOcc 0
6 mol 206 unq 0 iso 0 dist 7.10166 8.79753 8.95375 5.15743 8.02137 6.84704 9.72247 8.70977 11.157 6.3188 numMergedOcc 0
7 mol 206 unq 1 iso 0 dist 7.10166 8.79753 8.95375 13.609 9.774 7.72969 9.72247 8.70977 11.157 9.9412 numMergedOcc 0
8 mol 206 unq 2 iso 0 dist 7.10166 14.4158 9.29007 5.15743 8.02137 12.4178 9.72247 8.70977 7.41593 6.3188 numMergedOcc 0
9 mol 206 unq 3 iso 0 dist 7.10166 14.4158 9.29007 13.609 9.774 9.9578 9.72247 8.70977 7.41593 9.9412 numMergedOcc 0
10 mol 206 unq 4 iso 0 dist 9.66896 16.4935 8.95375 15.7773 8.02137 6.84704 12.2373 8.70977 11.157 6.3188 numMergedOcc 0
11 mol 206 unq 5 iso 0 dist 9.66896 16.4935 8.95375 12.0196 9.774 7.72969 12.2373 8.70977 11.157 9.9412 numMergedOcc 0
12 mol 206 unq 6 iso 0 dist 9.66896 5.69379 9.29007 15.7773 8.02137 12.4178 12.2373 8.70977 7.41593 6.3188 numMergedOcc 0
13 mol 206 unq 7 iso 0 dist 9.66896 5.69379 9.29007 12.0196 9.774 9.9578 12.2373 8.70977 7.41593 9.9412 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 6.53736 9.12311 6.13878 11.5481 6.18308 5.4508 5.06201 5.37446 9.83001 9.59996 numMergedOcc 0
15 mol 210 unq 1 iso 0 dist 8.18851 7.75472 6.13878 8.72811 6.18308 5.4508 6.66834 5.37446 9.83001 9.59996 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 9.40003 14.5553 9.92165 16.5528 9.65138 10.1227 12.2978 6.38157 13.4719 7.38025 numMergedOcc 0
17 mol 214 unq 1 iso 0 dist 9.40003 14.5553 9.92165 9.11345 7.14453 6.83063 12.2978 6.38157 13.4719 9.35273 numMergedOcc 0
18 mol 214 unq 2 iso 0 dist 9.40003 14.5553 9.92165 16.922 8.85478 12.7439 12.2978 6.38157 13.4719 5.63388 numMergedOcc 0
19 mol 214 unq 3 iso 0 dist 8.68385 9.87974 9.92165 10.2443 9.65138 10.1227 11.7781 6.38157 13.4719 7.38025 numMergedOcc 0
20 mol 214 unq 4 iso 0 dist 8.68385 9.87974 9.92165 12.5421 7.14453 6.83063 11.7781 6.38157 13.4719 9.35273 numMergedOcc 0
21 mol 214 unq 5 iso 0 dist 8.68385 9.87974 9.92165 9.18071 8.85478 12.7439 11.7781 6.38157 13.4719 5.63388 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 8.9077 8.20682 5.39218 10.6943 9.23153 13.3213 5.41948 5.45036 7.67381 6.17628 numMergedOcc 0
23 mol 220 unq 1 iso 0 dist 8.9077 8.20682 5.39218 10.6943 9.23153 13.3213 15.1445 9.97586 10.0433 14.0253 numMergedOcc 0
24 mol 220 unq 2 iso 0 dist 8.9077 8.20682 5.39218 15.396 8.24498 11.4842 5.41948 5.45036 7.67381 10.4136 numMergedOcc 0
25 mol 220 unq 3 iso 0 dist 8.9077 8.20682 5.39218 15.396 8.24498 11.4842 15.1445 9.97586 10.0433 6.20511 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 7.27481 12.6107 6.77368 5.68063 6.00706 8.47937 10.5003 8.48341 6.00427 6.03524 numMergedOcc 0
27 mol 222 unq 1 iso 0 dist 7.27481 12.6107 6.77368 5.90074 7.54212 10.4837 10.5003 8.48341 6.00427 7.60395 numMergedOcc 0
28 mol 222 unq 2 iso 0 dist 7.27481 4.98993 7.73634 5.68063 6.00706 4.81992 10.5003 8.48341 10.8503 6.03524 numMergedOcc 0
29 mol 222 unq 3 iso 0 dist 7.27481 4.98993 7.73634 5.90074 7.54212 9.69122 10.5003 8.48341 10.8503 7.60395 numMergedOcc 0
30 mol 236 unq 0 iso 0 dist 6.36941 13.8826 7.87233 8.3919 9.81562 15.6279 7.05684 8.50331 15.7632 7.22918 numMergedOcc 0
31 mol 236 unq 1 iso 0 dist 6.36941 13.8826 7.87233 4.88785 7.68742 13.7246 7.05684 8.50331 15.7632 9.05842 numMergedOcc 0
32 mol 236 unq 2 iso 0 dist 6.36941 13.8826 7.87233 10.2557 6.27581 10.5269 7.05684 8.50331 15.7632 7.00028 numMergedOcc 0
33 mol 261 unq 0 iso 0 dist 8.50313 7.35046 7.00833 13.3163 8.45658 6.75336 11.2562 8.60026 7.43942 6.04016 numMergedOcc 0
34 mol 261 unq 1 iso 0 dist 7.6414 7.98909 7.00833 13.6041 8.45658 6.75336 13.4429 8.60026 7.43942 6.04016 numMergedOcc 0
