0 mol 18 unq 0 iso 0 dist 8.38998 9.92632 11.5415 8.65495 15.8929 9.94034 numMergedOcc 0
1 mol 37 unq 0 iso 0 dist 9.95221 7.28798 6.58247 5.49213 10.1287 6.82081 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.27853 9.41551 4.95812 4.38483 10.4022 8.87951 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 9.46606 9.16644 5.2172 5.2387 10.9344 7.88961 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 7.6585 8.78393 9.08953 4.27997 10.0292 8.0757 numMergedOcc 0
5 mol 56 unq 1 iso 0 dist 7.6585 8.78393 9.08953 11.9782 17.159 9.8958 numMergedOcc 0
6 mol 56 unq 2 iso 0 dist 9.71282 8.78393 4.98324 4.27997 9.49909 8.0757 numMergedOcc 0
7 mol 56 unq 3 iso 0 dist 9.71282 8.78393 4.98324 11.9782 8.37022 9.8958 numMergedOcc 0
8 mol 56 unq 4 iso 0 dist 9.95507 8.99619 4.98324 6.41952 9.49909 8.0757 numMergedOcc 0
9 mol 56 unq 5 iso 0 dist 9.95507 8.99619 4.98324 4.83605 8.37022 9.8958 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 8.99189 9.49371 5.22567 11.3498 13.6767 9.26231 numMergedOcc 0
11 mol 76 unq 1 iso 0 dist 8.94097 5.05941 5.22567 8.10722 13.6767 9.26231 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 8.90417 9.05293 9.59932 10.5363 16.7559 9.8089 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 8.01128 7.40481 7.89992 11.3093 6.2491 6.62952 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 8.01128 7.40481 7.89992 6.41542 3.59451 4.3521 numMergedOcc 0
15 mol 101 unq 0 iso 0 dist 5.58941 8.70947 4.84084 8.24111 10.3452 9.60223 numMergedOcc 0
16 mol 101 unq 1 iso 0 dist 5.58941 8.70947 4.84084 5.23253 5.51185 7.11476 numMergedOcc 0
17 mol 104 unq 0 iso 0 dist 8.28631 5.74478 5.47837 6.02556 11.5385 7.32917 numMergedOcc 0
18 mol 104 unq 1 iso 0 dist 8.28631 5.74478 5.47837 4.09273 12.2913 8.84844 numMergedOcc 0
19 mol 120 unq 0 iso 0 dist 9.73488 9.0655 10.2375 4.42019 9.40544 8.8894 numMergedOcc 0
20 mol 154 unq 0 iso 0 dist 5.67578 8.99568 8.74561 10.6342 10.3559 8.99714 numMergedOcc 0
21 mol 170 unq 0 iso 0 dist 7.70662 5.13315 7.9212 5.2781 5.94075 9.15159 numMergedOcc 0
22 mol 228 unq 0 iso 0 dist 9.51962 9.33596 12.5596 5.56223 13.53 6.97798 numMergedOcc 0
23 mol 228 unq 1 iso 0 dist 9.89425 8.27678 12.6358 5.37564 12.6539 8.09971 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 7.19903 8.87704 8.20191 4.828 8.78008 7.80073 numMergedOcc 0
25 mol 249 unq 0 iso 0 dist 7.34573 6.88579 12.8692 6.08224 13.3214 5.70674 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 6.6688 9.64956 11.0025 11.4415 10.9114 9.65711 numMergedOcc 0
27 mol 260 unq 0 iso 0 dist 7.246 8.67835 11.3568 6.0591 9.05149 8.13605 numMergedOcc 0
28 mol 267 unq 0 iso 0 dist 8.07801 7.71379 9.17078 5.23721 11.366 5.72144 numMergedOcc 0
29 mol 267 unq 1 iso 0 dist 8.07801 7.71379 9.17078 5.05875 5.32643 6.79491 numMergedOcc 0
30 mol 279 unq 0 iso 0 dist 8.2905 8.36667 5.0671 4.72279 10.6442 8.71966 numMergedOcc 0
31 mol 279 unq 1 iso 0 dist 8.2905 6.74021 6.42071 5.33357 12.0338 8.52827 numMergedOcc 0
32 mol 279 unq 2 iso 0 dist 8.2905 6.74021 6.42071 9.67694 13.1627 7.14122 numMergedOcc 0
33 mol 279 unq 3 iso 0 dist 9.47256 8.36667 7.96104 4.72279 10.7156 8.71966 numMergedOcc 0
34 mol 279 unq 4 iso 0 dist 9.47256 6.74021 5.75891 5.33357 13.3284 8.52827 numMergedOcc 0
35 mol 279 unq 5 iso 0 dist 9.47256 6.74021 5.75891 9.67694 12.6699 7.14122 numMergedOcc 0
