0 mol 43 unq 0 iso 0 dist 8.54999 6.66552 7.67459 6.56834 9.21978 6.30607 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.54999 6.66552 7.67459 14.3492 8.03754 9.69698 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 6.00684 8.68717 9.8089 4.98967 8.0139 11.524 numMergedOcc 0
3 mol 91 unq 0 iso 0 dist 8.18876 9.10719 9.83234 7.45926 7.03536 4.6408 numMergedOcc 0
4 mol 91 unq 1 iso 0 dist 5.51155 9.08459 9.83234 5.55005 7.03536 4.6408 numMergedOcc 0
5 mol 91 unq 2 iso 0 dist 8.29601 12.6858 9.83234 9.57561 7.03536 4.6408 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 7.74102 6.04744 9.82274 10.3096 9.1146 15.3123 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 7.74102 4.95069 9.02712 10.3096 9.1146 10.4303 numMergedOcc 0
8 mol 158 unq 0 iso 0 dist 6.33118 9.51094 8.95432 7.85912 9.99005 3.8949 numMergedOcc 0
9 mol 209 unq 0 iso 0 dist 8.76212 11.0473 6.82209 9.47382 9.66809 5.3114 numMergedOcc 0
10 mol 217 unq 0 iso 0 dist 6.10085 7.92402 7.95365 7.93016 6.23025 10.8814 numMergedOcc 0
11 mol 226 unq 0 iso 0 dist 8.29033 12.4349 8.24741 9.65834 9.30975 12.6212 numMergedOcc 0
12 mol 226 unq 1 iso 0 dist 8.29033 12.4349 8.24741 13.0472 9.14028 10.78 numMergedOcc 0
13 mol 226 unq 2 iso 0 dist 8.29033 4.67515 5.07958 9.65834 9.30975 9.83787 numMergedOcc 0
14 mol 226 unq 3 iso 0 dist 8.29033 4.67515 5.07958 13.0472 9.14028 11.3247 numMergedOcc 0
15 mol 226 unq 4 iso 0 dist 8.29033 11.2053 6.19519 9.65834 9.30975 6.6871 numMergedOcc 0
16 mol 226 unq 5 iso 0 dist 8.29033 11.2053 6.19519 13.0472 9.14028 6.19485 numMergedOcc 0
17 mol 226 unq 6 iso 0 dist 5.44698 11.1522 8.24741 6.25661 9.30975 12.6212 numMergedOcc 0
18 mol 226 unq 7 iso 0 dist 5.44698 11.1522 8.24741 9.16105 9.14028 10.78 numMergedOcc 0
19 mol 226 unq 8 iso 0 dist 5.44698 4.8749 5.07958 6.25661 9.30975 9.83787 numMergedOcc 0
20 mol 226 unq 9 iso 0 dist 5.44698 4.8749 5.07958 9.16105 9.14028 11.3247 numMergedOcc 0
21 mol 226 unq 10 iso 0 dist 5.44698 6.81662 6.19519 6.25661 9.30975 6.6871 numMergedOcc 0
22 mol 226 unq 11 iso 0 dist 5.44698 6.81662 6.19519 9.16105 9.14028 6.19485 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 6.77267 11.0259 7.10828 4.97992 7.78671 12.7533 numMergedOcc 0
24 mol 243 unq 0 iso 0 dist 8.82741 11.6124 8.1195 9.30844 9.35819 5.74171 numMergedOcc 0
25 mol 243 unq 1 iso 0 dist 4.88105 11.0067 8.1195 9.73641 9.35819 5.74171 numMergedOcc 0
26 mol 243 unq 2 iso 0 dist 9.44057 16.3085 8.1195 14.3806 9.35819 5.74171 numMergedOcc 0
27 mol 248 unq 0 iso 0 dist 9.37614 5.88268 7.51278 11.8966 9.27041 6.14956 numMergedOcc 0
28 mol 248 unq 1 iso 0 dist 9.37614 5.88268 7.51278 6.00666 8.98788 5.68749 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 7.87577 5.06393 8.73425 6.60345 9.04358 5.13233 numMergedOcc 0
30 mol 261 unq 0 iso 0 dist 5.74302 4.47538 7.3406 5.85483 9.77784 9.20564 numMergedOcc 0
31 mol 261 unq 1 iso 0 dist 5.74302 4.47538 7.3406 4.31412 5.00128 4.69366 numMergedOcc 0
32 mol 279 unq 0 iso 0 dist 9.10723 8.86627 8.71966 5.72173 8.23059 6.98947 numMergedOcc 0
