0 mol 29 unq 0 iso 0 dist 9.64034 6.69806 8.58191 5.36278 5.97852 8.53135 numMergedOcc 0
1 mol 29 unq 1 iso 0 dist 6.04161 5.82508 8.58191 7.50258 5.97852 8.53135 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 7.82815 6.90464 9.03138 8.04019 3.85975 8.0346 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 9.87963 9.65232 9.63348 10.7445 5.19429 9.96522 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 8.67352 13.0445 9.63348 13.8046 5.19429 9.96522 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 6.34748 13.2346 7.89184 9.58606 3.54989 4.80247 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.12959 10.9249 8.8326 11.0374 5.34337 5.37449 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 8.12959 10.9249 8.8326 17.6188 10.8827 9.52666 numMergedOcc 0
8 mol 87 unq 0 iso 0 dist 6.21094 4.54351 9.08749 6.22441 6.42891 7.35921 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 6.84952 5.45089 4.79891 6.30896 6.40382 5.26536 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 8.85652 13.2909 8.46972 17.0971 9.14454 7.26325 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 9.67398 12.7708 9.58844 12.4848 6.5713 6.21554 numMergedOcc 0
12 mol 130 unq 1 iso 0 dist 7.15213 12.7066 9.58844 12.7322 6.5713 6.21554 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 5.20195 5.57607 6.41759 9.88178 7.45747 6.00896 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 5.55218 11.0082 8.14405 11.8225 10.5172 8.3622 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 9.67711 14.3635 8.09699 13.976 5.35456 4.59484 numMergedOcc 0
16 mol 193 unq 0 iso 0 dist 8.44337 14.7786 8.28942 11.0513 7.03555 7.71716 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 6.50586 6.38518 7.18098 5.86839 3.73699 6.02053 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 5.63283 5.07259 7.84418 6.43519 10.4922 8.27071 numMergedOcc 0
19 mol 205 unq 2 iso 0 dist 5.63283 6.25023 6.92823 10.7551 6.22981 8.63185 numMergedOcc 0
20 mol 205 unq 3 iso 0 dist 5.63283 6.25023 6.92823 4.81837 4.7106 7.25362 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 8.57781 6.1168 5.88041 7.03925 4.67513 5.07376 numMergedOcc 0
22 mol 224 unq 1 iso 0 dist 5.36326 9.80029 5.88041 9.7994 4.67513 5.07376 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 9.32928 6.33774 6.0567 13.2286 7.26668 7.10828 numMergedOcc 0
24 mol 239 unq 1 iso 0 dist 7.98794 8.46058 6.0567 7.58554 7.26668 7.10828 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 7.03656 9.38222 9.44618 14.2459 13.4439 8.52827 numMergedOcc 0
26 mol 279 unq 1 iso 0 dist 9.24104 6.25345 5.41277 14.5527 7.98069 8.51994 numMergedOcc 0
27 mol 280 unq 0 iso 0 dist 7.4869 5.846 6.16546 4.45141 4.06908 6.38295 numMergedOcc 0
