0 mol 58 unq 0 iso 0 dist 7.88172 9.78668 10.7828 5.02512 7.58739 11.6636 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 7.88172 9.78668 10.7828 5.42468 9.01564 14.8261 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 7.88172 9.78668 10.7828 8.24108 7.11065 15.7028 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 6.34966 4.90093 3.99506 4.58473 7.98985 5.64092 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 5.30477 6.8173 4.1846 5.17759 5.7684 4.27766 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 5.76109 7.37377 5.01255 10.3243 9.19977 14.057 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 5.76109 9.15802 4.76749 10.3243 9.19977 7.24956 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 8.0955 7.37377 8.98901 10.3243 7.28831 14.057 numMergedOcc 0
8 mol 93 unq 3 iso 0 dist 8.0955 9.15802 5.73248 10.3243 7.28831 7.24956 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 7.35385 9.80185 3.80763 7.04886 9.27009 10.0911 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 8.35864 9.80185 9.98068 14.9912 6.65731 14.3335 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 5.0207 8.98606 6.04545 10.6375 7.58375 11.6495 numMergedOcc 0
12 mol 193 unq 0 iso 0 dist 9.82224 6.63784 11.1328 9.98298 8.15661 15.206 numMergedOcc 0
13 mol 193 unq 1 iso 0 dist 9.82224 9.00934 11.6691 9.98298 8.15661 16.2846 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 9.28689 6.11886 5.27881 9.15903 8.31721 7.4185 numMergedOcc 0
15 mol 277 unq 0 iso 0 dist 5.92532 9.48076 12.1127 13.3706 9.26157 21.0741 numMergedOcc 0
16 mol 292 unq 0 iso 0 dist 9.46421 7.83983 4.30125 11.7127 8.6233 9.21469 numMergedOcc 0
