0 mol 59 unq 0 iso 0 dist 9.28075 5.55348 7.80026 10.9837 14.6616 8.35444 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 6.65799 13.2892 9.56474 15.095 10.2536 6.52887 numMergedOcc 0
2 mol 107 unq 0 iso 0 dist 8.94247 4.57302 8.89853 10.7789 7.8112 7.14125 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 7.47105 6.43647 5.9959 12.4415 8.01541 8.50705 numMergedOcc 0
4 mol 143 unq 0 iso 0 dist 7.10839 9.1255 9.70788 7.13287 4.85796 7.05845 numMergedOcc 0
5 mol 143 unq 1 iso 0 dist 7.10839 9.1255 9.70788 15.9433 13.1446 8.18023 numMergedOcc 0
6 mol 148 unq 0 iso 0 dist 5.78662 8.23396 8.09064 6.91289 5.85057 8.42899 numMergedOcc 0
7 mol 150 unq 0 iso 0 dist 5.47823 7.40922 8.00956 6.895 6.01237 8.33721 numMergedOcc 0
8 mol 155 unq 0 iso 0 dist 6.1274 4.33327 5.55218 9.70106 5.49358 7.29911 numMergedOcc 0
9 mol 155 unq 1 iso 0 dist 6.1274 4.33327 5.55218 9.47305 7.00069 5.36254 numMergedOcc 0
10 mol 195 unq 0 iso 0 dist 8.3941 11.5968 7.75518 8.64561 7.60926 9.74988 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 6.58174 5.10199 5.81438 9.01666 5.64245 5.3819 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 7.24175 5.055 6.0155 8.20906 12.5858 9.58372 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 8.33143 5.30128 8.94981 13.4387 13.2718 8.91356 numMergedOcc 0
14 mol 225 unq 1 iso 0 dist 8.33143 5.30128 8.94981 11.5171 17.5728 9.59574 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 7.4491 6.2985 8.31815 10.1878 5.32456 9.38131 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 7.4491 6.2985 8.31815 10.5741 6.26991 6.85253 numMergedOcc 0
17 mol 238 unq 2 iso 0 dist 7.4491 6.2985 8.31815 13.3138 15.7932 9.08687 numMergedOcc 0
18 mol 254 unq 0 iso 0 dist 9.79826 5.08612 8.98141 12.9598 9.73337 9.66641 numMergedOcc 0
19 mol 273 unq 0 iso 0 dist 7.29081 4.3735 6.95569 9.93542 10.5519 9.06937 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 9.73559 11.5319 7.32002 15.8638 10.5538 6.1905 numMergedOcc 0
