0 mol 21 unq 0 iso 0 dist 7.31253 8.7443 4.71732 6.3338 9.23319 10.5354 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 9.69419 8.83919 11.1621 6.74214 7.18002 13.5451 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.02004 9.90731 9.41295 3.47529 9.54119 11.928 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 8.02004 9.90731 9.41295 13.1138 7.87476 16.8468 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 7.77714 6.77802 6.38985 3.42062 9.77004 9.05737 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 7.77714 6.77802 6.38985 13.5492 8.36323 14.5865 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 6.46118 9.48328 9.12054 12.971 9.77004 18.8458 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 6.46118 9.48328 9.12054 4.70736 8.36323 10.0937 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 6.50646 9.57292 4.4417 6.85539 9.78668 10.4579 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 6.22956 8.39335 10.0772 3.51784 7.22914 11.7064 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 6.22956 8.39335 10.0772 8.5469 8.66795 16.0936 numMergedOcc 0
11 mol 111 unq 0 iso 0 dist 7.95205 6.33923 4.58626 3.83194 8.48433 4.91212 numMergedOcc 0
12 mol 111 unq 1 iso 0 dist 7.95205 9.9801 3.78254 3.83194 8.48433 9.74162 numMergedOcc 0
13 mol 111 unq 2 iso 0 dist 8.38367 8.51084 4.21801 7.42165 7.36025 4.91212 numMergedOcc 0
14 mol 111 unq 3 iso 0 dist 8.38367 8.51084 4.21801 7.93667 9.60251 9.74162 numMergedOcc 0
15 mol 111 unq 4 iso 0 dist 8.38367 5.53271 10.0002 7.42165 7.36025 9.34782 numMergedOcc 0
16 mol 111 unq 5 iso 0 dist 8.38367 5.53271 10.0002 7.93667 9.60251 12.5922 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 8.22039 7.53591 4.45608 4.40012 7.43587 5.60448 numMergedOcc 0
18 mol 165 unq 0 iso 0 dist 6.35749 9.43781 11.3114 6.65543 9.93641 14.4225 numMergedOcc 0
19 mol 165 unq 1 iso 0 dist 6.35749 7.84854 9.38939 6.65543 9.93641 13.2493 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 7.9678 6.2669 10.4274 3.95968 5.32465 9.29842 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 6.86905 9.31268 4.51854 5.61713 9.91332 10.6732 numMergedOcc 0
22 mol 257 unq 0 iso 0 dist 8.42116 9.79593 7.56859 6.38688 9.95749 13.3116 numMergedOcc 0
23 mol 280 unq 0 iso 0 dist 6.30852 8.6212 8.33181 3.53168 8.9318 11.0216 numMergedOcc 0
