0 mol 12 unq 0 iso 0 dist 5.44478 7.4036 4.40652 5.70264 8.15864 9.52857 numMergedOcc 0
1 mol 37 unq 0 iso 0 dist 8.40835 9.92538 11.4772 4.81503 7.65802 12.6757 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 7.14979 7.35929 4.49645 5.15367 7.44913 10.23 numMergedOcc 0
3 mol 71 unq 0 iso 0 dist 5.75102 5.70431 6.06105 12.2856 8.92529 14.6705 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 5.72494 9.61913 6.12629 5.40051 7.66418 10.8207 numMergedOcc 0
5 mol 103 unq 1 iso 0 dist 8.70106 9.61913 12.2951 5.40051 8.078 10.8207 numMergedOcc 0
6 mol 103 unq 2 iso 0 dist 8.70106 9.61913 12.2951 14.0531 6.56481 18.2493 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 9.15982 9.82907 11.585 11.2753 6.54778 17.3148 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.58344 9.10479 7.29711 5.49967 9.84762 7.89317 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 5.68879 9.10479 4.96177 5.49967 5.2184 7.89317 numMergedOcc 0
10 mol 124 unq 0 iso 0 dist 6.31232 7.55095 5.34732 8.28232 7.18976 9.94532 numMergedOcc 0
11 mol 148 unq 0 iso 0 dist 8.60157 9.92375 13.7802 6.76353 8.6953 16.1701 numMergedOcc 0
12 mol 148 unq 1 iso 0 dist 6.72591 9.92375 9.82423 6.76353 9.18753 16.1701 numMergedOcc 0
13 mol 158 unq 0 iso 0 dist 6.45502 9.58371 5.97811 13.5755 9.38856 11.6992 numMergedOcc 0
14 mol 158 unq 1 iso 0 dist 8.66056 7.13199 5.97811 12.9207 9.38856 11.6992 numMergedOcc 0
15 mol 158 unq 2 iso 0 dist 8.34722 7.13199 7.86938 10.6035 9.96635 14.4446 numMergedOcc 0
16 mol 162 unq 0 iso 0 dist 9.66591 6.43099 7.12407 13.3178 9.96586 14.7479 numMergedOcc 0
17 mol 162 unq 1 iso 0 dist 9.66591 9.35189 13.4924 13.3178 9.96586 20.9356 numMergedOcc 0
18 mol 165 unq 0 iso 0 dist 3.87901 8.67001 7.1886 8.4352 7.21397 11.8119 numMergedOcc 0
19 mol 167 unq 0 iso 0 dist 6.6514 7.93807 7.33075 8.3419 7.20545 12.98 numMergedOcc 0
20 mol 189 unq 0 iso 0 dist 9.71306 7.45329 10.6364 7.19635 9.95686 10.9697 numMergedOcc 0
21 mol 189 unq 1 iso 0 dist 9.71306 7.45329 10.6364 8.18227 9.47321 14.4543 numMergedOcc 0
22 mol 189 unq 2 iso 0 dist 9.20296 7.45329 12.7664 8.18227 6.38294 14.4543 numMergedOcc 0
23 mol 192 unq 0 iso 0 dist 9.67207 7.27051 13.2917 4.64973 6.2016 8.14859 numMergedOcc 0
24 mol 192 unq 1 iso 0 dist 9.67207 7.27051 13.2917 6.57816 8.3453 13.4317 numMergedOcc 0
25 mol 192 unq 2 iso 0 dist 9.67207 7.35424 10.3343 4.64973 6.2016 5.62421 numMergedOcc 0
26 mol 192 unq 3 iso 0 dist 9.67207 7.35424 10.3343 6.57816 8.3453 12 numMergedOcc 0
27 mol 276 unq 0 iso 0 dist 8.0652 8.74282 7.57645 6.40983 7.60807 12.3316 numMergedOcc 0
28 mol 284 unq 0 iso 0 dist 5.62295 5.61727 6.50962 10.8669 7.74965 13.9565 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 9.11602 8.82948 15.3271 7.31462 8.40726 16.1408 numMergedOcc 0
30 mol 287 unq 1 iso 0 dist 9.11602 8.82948 15.3271 6.64598 5.15923 13.2992 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 9.11602 8.82948 15.3271 7.31462 8.40726 16.1408 numMergedOcc 0
32 mol 288 unq 1 iso 0 dist 9.11602 8.82948 15.3271 6.64598 5.15923 13.2992 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 9.11602 8.82948 15.3271 7.31462 8.40726 16.1408 numMergedOcc 0
34 mol 289 unq 1 iso 0 dist 9.11602 8.82948 15.3271 6.64598 5.15923 13.2992 numMergedOcc 0
35 mol 293 unq 0 iso 0 dist 6.02106 8.60282 4.27008 6.26633 7.41524 6.67882 numMergedOcc 0
36 mol 293 unq 1 iso 0 dist 8.27274 8.60282 5.75555 6.26633 6.42608 6.67882 numMergedOcc 0
