0 mol 7 unq 0 iso 0 dist 9.85726 5.25379 6.7985 12.8174 5.38502 8.02892 12.9476 9.0379 9.68596 7.39982 numMergedOcc 0
1 mol 98 unq 0 iso 0 dist 9.59261 5.24592 5.78706 7.59354 6.83826 4.94406 11.7102 7.51619 7.23884 5.0289 numMergedOcc 0
2 mol 98 unq 1 iso 0 dist 9.59261 5.24592 5.78706 7.59354 6.83826 4.94406 6.67936 10.6225 5.59328 9.94628 numMergedOcc 0
3 mol 98 unq 2 iso 0 dist 9.59261 5.24592 5.78706 7.59354 6.83826 4.94406 8.25817 12.7411 7.5242 7.53156 numMergedOcc 0
4 mol 98 unq 3 iso 0 dist 9.59261 5.24592 5.78706 10.0393 9.30656 7.2337 11.7102 7.51619 7.23884 12.1337 numMergedOcc 0
5 mol 98 unq 4 iso 0 dist 9.59261 5.24592 5.78706 10.0393 9.30656 7.2337 6.67936 10.6225 5.59328 5.39087 numMergedOcc 0
6 mol 98 unq 5 iso 0 dist 9.59261 5.24592 5.78706 10.0393 9.30656 7.2337 8.25817 12.7411 7.5242 12.2431 numMergedOcc 0
7 mol 98 unq 6 iso 0 dist 6.67936 5.24592 5.59328 7.59354 9.94628 4.94406 9.59261 10.6225 5.78706 6.83826 numMergedOcc 0
8 mol 98 unq 7 iso 0 dist 6.67936 5.24592 5.59328 7.59354 9.94628 4.94406 11.7102 11.4338 7.23884 5.0289 numMergedOcc 0
9 mol 98 unq 8 iso 0 dist 6.67936 5.24592 5.59328 7.59354 9.94628 4.94406 8.25817 7.72877 7.5242 7.53156 numMergedOcc 0
10 mol 98 unq 9 iso 0 dist 6.67936 5.24592 5.59328 10.0393 5.39087 7.2337 9.59261 10.6225 5.78706 9.30656 numMergedOcc 0
11 mol 98 unq 10 iso 0 dist 6.67936 5.24592 5.59328 10.0393 5.39087 7.2337 11.7102 11.4338 7.23884 12.1337 numMergedOcc 0
12 mol 98 unq 11 iso 0 dist 6.67936 5.24592 5.59328 10.0393 5.39087 7.2337 8.25817 7.72877 7.5242 12.2431 numMergedOcc 0
13 mol 98 unq 12 iso 0 dist 8.25817 5.24592 7.5242 7.59354 7.53156 4.94406 9.59261 12.7411 5.78706 6.83826 numMergedOcc 0
14 mol 98 unq 13 iso 0 dist 8.25817 5.24592 7.5242 7.59354 7.53156 4.94406 11.7102 9.30161 7.23884 5.0289 numMergedOcc 0
15 mol 98 unq 14 iso 0 dist 8.25817 5.24592 7.5242 7.59354 7.53156 4.94406 6.67936 7.72877 5.59328 9.94628 numMergedOcc 0
16 mol 98 unq 15 iso 0 dist 8.25817 5.24592 7.5242 10.0393 12.2431 7.2337 9.59261 12.7411 5.78706 9.30656 numMergedOcc 0
17 mol 98 unq 16 iso 0 dist 8.25817 5.24592 7.5242 10.0393 12.2431 7.2337 11.7102 9.30161 7.23884 12.1337 numMergedOcc 0
18 mol 98 unq 17 iso 0 dist 8.25817 5.24592 7.5242 10.0393 12.2431 7.2337 6.67936 7.72877 5.59328 5.39087 numMergedOcc 0
19 mol 125 unq 0 iso 0 dist 8.84867 14.8614 9.3778 15.4084 9.19339 9.2657 13.8831 5.20403 9.08382 9.67381 numMergedOcc 0
20 mol 125 unq 1 iso 0 dist 8.84867 14.8614 9.3778 15.4084 9.19339 9.2657 19.5018 11.8325 7.47069 6.92879 numMergedOcc 0
21 mol 130 unq 0 iso 0 dist 8.54461 7.91054 8.78276 9.70695 6.33857 5.96506 11.3273 4.5207 7.88805 5.72266 numMergedOcc 0
22 mol 130 unq 1 iso 0 dist 8.54461 7.91054 8.78276 9.70695 6.33857 5.96506 7.83619 8.38345 7.96646 5.15286 numMergedOcc 0
23 mol 130 unq 2 iso 0 dist 8.54461 7.91054 8.78276 9.70695 6.33857 5.96506 14.6047 10.5137 7.90048 5.96312 numMergedOcc 0
24 mol 130 unq 3 iso 0 dist 7.83619 7.91054 7.96646 9.70695 5.15286 5.96506 8.54461 8.38345 8.78276 6.33857 numMergedOcc 0
25 mol 130 unq 4 iso 0 dist 7.83619 7.91054 7.96646 9.70695 5.15286 5.96506 11.3273 10.0969 7.88805 5.72266 numMergedOcc 0
26 mol 130 unq 5 iso 0 dist 7.83619 7.91054 7.96646 9.70695 5.15286 5.96506 14.6047 10.7116 7.90048 5.96312 numMergedOcc 0
27 mol 130 unq 6 iso 0 dist 9.91643 11.6197 7.96646 11.4978 5.15286 5.96506 17.231 8.38345 8.78276 6.33857 numMergedOcc 0
28 mol 130 unq 7 iso 0 dist 9.91643 11.6197 7.96646 11.4978 5.15286 5.96506 16.8947 10.0969 7.88805 5.72266 numMergedOcc 0
29 mol 130 unq 8 iso 0 dist 9.91643 11.6197 7.96646 11.4978 5.15286 5.96506 12.9219 10.7116 7.90048 5.96312 numMergedOcc 0
30 mol 135 unq 0 iso 0 dist 6.5228 5.26692 7.90563 13.5035 12.3033 9.03598 10.9745 6.57193 8.97655 9.69024 numMergedOcc 0
31 mol 156 unq 0 iso 0 dist 8.81169 4.1075 6.30021 11.369 6.2089 7.70894 10.3078 5.76755 9.47433 11.8579 numMergedOcc 0
32 mol 196 unq 0 iso 0 dist 6.76923 9.91514 6.86319 19.1434 14.9157 9.47404 15.6936 10.2747 6.70531 5.61672 numMergedOcc 0
33 mol 226 unq 0 iso 0 dist 9.5723 7.93097 6.11704 13.042 6.92489 9.61639 14.3079 5.16662 8.80683 9.11816 numMergedOcc 0
34 mol 227 unq 0 iso 0 dist 9.17826 16.3489 7.43071 22.1037 14.5234 8.61546 13.0242 4.39704 6.02296 13.552 numMergedOcc 0
35 mol 227 unq 1 iso 0 dist 9.64299 9.17153 6.02296 16.0543 13.552 8.61546 12.7101 4.39704 7.43071 14.5234 numMergedOcc 0
36 mol 235 unq 0 iso 0 dist 9.71281 6.18998 6.36341 9.96454 11.9319 6.86251 10.7398 8.31875 6.21292 5.19684 numMergedOcc 0
37 mol 235 unq 1 iso 0 dist 9.71281 6.18998 6.36341 9.96454 11.9319 6.86251 11.491 10.5547 9.21736 7.00293 numMergedOcc 0
38 mol 249 unq 0 iso 0 dist 7.29898 10.4369 5.48118 14.8422 9.82483 4.68783 11.0836 5.3927 7.25858 9.54906 numMergedOcc 0
39 mol 249 unq 1 iso 0 dist 8.91685 13.4788 5.48118 18.1492 9.82483 4.68783 13.0753 5.3927 7.25858 9.54906 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 7.93997 10.9643 7.08526 18.6151 11.8501 9.69025 13.8509 6.96053 7.98231 5.71237 numMergedOcc 0
