0 mol 9 unq 0 iso 0 dist 8.77074 9.93406 6.59455 13.6879 13.7528 7.35972 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.70141 12.1061 4.90592 18.4559 10.0715 6.72323 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.46609 4.29919 9.5053 6.17217 5.66783 6.56527 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 5.64067 7.27795 6.55815 9.87649 5.60789 7.14464 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 7.03812 10.0797 7.03307 10.95 5.1728 7.48846 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 9.15304 13.7632 8.86698 21.2768 14.2174 8.19993 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 8.95651 4.1125 9.05259 5.62309 8.0763 6.77241 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 8.95651 4.1125 9.05259 7.11438 12.2082 5.50508 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 5.82501 3.88006 7.42482 7.48533 8.66057 8.42878 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 5.33314 7.57827 8.92828 10.3715 11.6708 5.87084 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.19335 5.21047 7.82544 5.56565 5.61022 6.84835 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 9.19335 5.21047 7.82544 9.94824 12.8357 8.42748 numMergedOcc 0
12 mol 133 unq 2 iso 0 dist 8.5076 5.21047 6.18808 5.56565 5.71483 6.84835 numMergedOcc 0
13 mol 133 unq 3 iso 0 dist 8.5076 5.21047 6.18808 9.94824 5.83691 8.42748 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 7.68295 4.98945 8.1536 8.81813 9.18337 5.25109 numMergedOcc 0
15 mol 171 unq 1 iso 0 dist 7.68295 4.98945 8.1536 10.1083 8.83874 8.21618 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 7.47107 10.7677 5.68348 9.76361 7.50057 6.38324 numMergedOcc 0
17 mol 194 unq 1 iso 0 dist 7.47107 10.7677 5.68348 13.3459 5.92931 6.1886 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 5.31079 6.5238 6.51288 6.32097 3.95218 9.73541 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 8.28454 14.1101 9.23935 16.6413 8.98957 8.37739 numMergedOcc 0
20 mol 225 unq 1 iso 0 dist 8.28454 12.969 7.77552 16.6413 8.98957 9.47237 numMergedOcc 0
21 mol 237 unq 0 iso 0 dist 8.06435 3.96327 5.6703 8.42502 6.26206 8.10254 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 7.71972 6.70266 7.79704 9.44134 5.57372 7.75216 numMergedOcc 0
23 mol 274 unq 1 iso 0 dist 9.76049 6.70266 9.39276 9.44134 12.4711 7.75216 numMergedOcc 0
24 mol 274 unq 2 iso 0 dist 7.65671 4.36131 8.2997 9.02071 5.36428 6.88827 numMergedOcc 0
25 mol 274 unq 3 iso 0 dist 7.65671 4.36131 8.2997 11.74 14.986 9.16942 numMergedOcc 0
