0 mol 32 unq 0 iso 0 dist 8.72278 8.19716 7.6082 11.3581 3.82644 6.93709 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 8.72278 5.05941 4.09276 11.3581 3.82644 6.38271 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 9.78525 5.01912 6.30541 10.4717 3.44879 5.89913 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 7.18358 5.81115 6.96066 6.29801 5.73969 4.5892 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 7.33521 5.35193 5.4421 11.3205 4.06971 9.05228 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 4.3761 6.41542 8.04448 5.61418 9.39313 5.24616 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 6.14782 10.5613 8.18252 5.91023 3.8493 5.85622 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 8.49806 10.5613 7.55531 5.91023 3.78499 5.85622 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 7.25891 6.0128 6.34794 10.4936 3.78921 9.67207 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 9.43472 11.3692 8.85708 18.6385 13.3692 8.16392 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.4822 7.41517 8.53875 11.0303 12.4943 7.43045 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 6.4822 7.41517 8.53875 10.3969 6 7.74168 numMergedOcc 0
12 mol 141 unq 2 iso 0 dist 6.4822 7.41517 8.53875 12.3841 8.90391 8.16507 numMergedOcc 0
13 mol 232 unq 0 iso 0 dist 8.15743 6.92292 8.21479 10.4181 9.5606 4.76819 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 7.45786 11.9127 9.87224 17.8213 13.7613 7.99963 numMergedOcc 0
15 mol 260 unq 0 iso 0 dist 4.76689 5.42082 6.23198 6.02628 3.43711 4.20369 numMergedOcc 0
16 mol 260 unq 1 iso 0 dist 4.76689 5.42082 6.23198 9.26098 5.84323 6.4165 numMergedOcc 0
17 mol 260 unq 2 iso 0 dist 7.26455 5.42082 8.82216 6.02628 7.63469 4.20369 numMergedOcc 0
18 mol 260 unq 3 iso 0 dist 7.26455 5.42082 8.82216 9.26098 8.31902 6.4165 numMergedOcc 0
19 mol 260 unq 4 iso 0 dist 8.79012 12.4464 6.23198 10.5948 3.43711 4.20369 numMergedOcc 0
20 mol 260 unq 5 iso 0 dist 8.79012 12.4464 6.23198 13.6125 5.84323 6.4165 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 8.40448 12.5049 7.67032 15.8151 9.78358 5.16266 numMergedOcc 0
