0 mol 54 unq 0 iso 0 dist 6.77145 6.52915 8.05329 8.6777 5.40127 12.6635 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 4.87397 6.52915 4.77736 8.6777 9.22563 12.6635 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 8.68381 8.98939 9.05877 9.57292 11.0735 10.3765 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 8.64534 8.7767 6.02306 8.69452 3.97053 4.80844 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.66549 8.64047 4.39271 8.15861 13.2781 14.1233 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 9.66549 8.64047 4.39271 9.27814 7.41484 4.06365 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 8.84466 8.21739 8.02579 8.61597 14.4533 10.1484 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 8.84466 4.78377 12.3147 8.61597 14.4533 10.2139 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 9.2948 8.21739 12.1011 8.61597 3.24551 10.1484 numMergedOcc 0
9 mol 93 unq 3 iso 0 dist 9.2948 4.78377 9.97789 8.61597 3.24551 10.2139 numMergedOcc 0
10 mol 104 unq 0 iso 0 dist 7.45407 6.07166 7.13246 9.58427 3.41728 9.76928 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 4.87856 6.20301 3.95956 6.40989 6.93445 9.65072 numMergedOcc 0
12 mol 124 unq 0 iso 0 dist 8.48985 9.11203 5.46092 9.01881 13.2981 9.45908 numMergedOcc 0
13 mol 124 unq 1 iso 0 dist 8.48985 5.49109 5.02355 9.01881 13.2981 10.8837 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 5.03663 7.83509 6.96543 7.50372 6.78721 4.60996 numMergedOcc 0
15 mol 147 unq 1 iso 0 dist 8.93916 7.01483 6.96543 5.39386 12.7913 9.33236 numMergedOcc 0
16 mol 147 unq 2 iso 0 dist 8.93916 7.01483 6.96543 5.79819 11.3398 9.20965 numMergedOcc 0
17 mol 147 unq 3 iso 0 dist 8.93916 7.01483 6.96543 6.03024 6.78721 4.60996 numMergedOcc 0
18 mol 173 unq 0 iso 0 dist 7.76856 9.476 13.7523 9.31914 11.5164 5.13914 numMergedOcc 0
19 mol 173 unq 1 iso 0 dist 7.76856 5.77288 13.4285 9.31914 11.5164 12.5538 numMergedOcc 0
20 mol 233 unq 0 iso 0 dist 9.49046 7.01792 5.72267 8.7499 10.934 6.82826 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 8.92585 8.24118 9.92633 9.31268 15.7821 14.2452 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 8.19213 6.69569 10.8341 8.15636 8.78444 10.0855 numMergedOcc 0
23 mol 287 unq 1 iso 0 dist 8.19213 6.69569 10.8341 7.86292 3.7428 8.41058 numMergedOcc 0
24 mol 287 unq 2 iso 0 dist 5.80664 6.69569 5.80218 8.15636 12.0542 10.0855 numMergedOcc 0
25 mol 287 unq 3 iso 0 dist 5.80664 6.69569 5.80218 7.86292 8.10528 8.41058 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 8.19213 6.69569 10.8341 8.15636 8.78444 10.0855 numMergedOcc 0
27 mol 288 unq 1 iso 0 dist 8.19213 6.69569 10.8341 7.86292 3.7428 8.41058 numMergedOcc 0
28 mol 288 unq 2 iso 0 dist 5.80664 6.69569 5.80218 8.15636 12.0542 10.0855 numMergedOcc 0
29 mol 288 unq 3 iso 0 dist 5.80664 6.69569 5.80218 7.86292 8.10528 8.41058 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 8.19213 6.69569 10.8341 8.15636 8.78444 10.0855 numMergedOcc 0
31 mol 289 unq 1 iso 0 dist 8.19213 6.69569 10.8341 7.86292 3.7428 8.41058 numMergedOcc 0
32 mol 289 unq 2 iso 0 dist 5.80664 6.69569 5.80218 8.15636 12.0542 10.0855 numMergedOcc 0
33 mol 289 unq 3 iso 0 dist 5.80664 6.69569 5.80218 7.86292 8.10528 8.41058 numMergedOcc 0
