0 mol 6 unq 0 iso 0 dist 8.30543 8.70244 11.7227 6.38732 7.54484 11.0664 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 7.96306 5.73067 7.46414 8.3311 7.17698 10.7047 numMergedOcc 0
2 mol 38 unq 1 iso 0 dist 7.96306 5.73067 7.46414 5.96514 4.74069 7.26639 numMergedOcc 0
3 mol 51 unq 0 iso 0 dist 8.55004 7.12423 13.4355 7.23303 7.73836 11.1952 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 9.41952 9.55751 8.94845 10.4376 7.80026 12.4823 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 8.34804 9.46247 11 3.77705 6.44825 8.3733 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 5.73908 7.51075 13.0823 10.6719 8.52421 16.5022 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 6.77421 7.51075 5.31976 6.56256 9.90923 7.39665 numMergedOcc 0
8 mol 71 unq 0 iso 0 dist 8.39608 7.35142 5.87956 10.3685 7.50921 12.595 numMergedOcc 0
9 mol 71 unq 1 iso 0 dist 7.28815 9.50139 5.87956 9.85206 7.50921 12.595 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 8.09675 8.67532 6.97502 10.2047 7.69222 6.45841 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 8.09675 8.67532 6.97502 10.8441 5.82056 5.61588 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 8.09675 8.67532 6.97502 15.2203 9.09115 7.83244 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 7.25561 9.71952 13.0619 6.69911 8.12959 8.13108 numMergedOcc 0
14 mol 76 unq 1 iso 0 dist 8.97499 7.28257 13.0619 3.94216 8.12959 8.13108 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 7.13958 9.28278 4.80675 9.63308 9.31543 6.69691 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 7.13958 9.28278 4.80675 9.05571 8.85652 5.51197 numMergedOcc 0
17 mol 129 unq 2 iso 0 dist 7.13958 8.78082 7.01358 9.63308 9.31543 15.3611 numMergedOcc 0
18 mol 129 unq 3 iso 0 dist 7.13958 8.78082 7.01358 9.05571 8.85652 12.8996 numMergedOcc 0
19 mol 139 unq 0 iso 0 dist 5.77343 6.34417 4.78289 4.37138 7.20542 5.80789 numMergedOcc 0
20 mol 187 unq 0 iso 0 dist 5.82577 9.36086 4.98423 5.93957 5.7938 10.6845 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 7.97183 5.96555 4.25942 6.96644 6.75579 6.52816 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 9.24066 7.46434 7.87385 4.86668 8.68934 8.84746 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 9.29888 9.13537 9.76195 6.25665 6.5311 12.269 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 9.29888 9.13537 9.76195 16.4705 9.67281 13.9551 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 9.52903 5.73834 9.78068 11.7204 9.6327 15.8864 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 8.06908 9.54857 6.18571 5.49348 8.40328 5.85442 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 8.06908 9.54857 6.18571 5.13138 8.2518 6.95511 numMergedOcc 0
28 mol 272 unq 0 iso 0 dist 7.38085 9.64596 4.78295 3.7218 5.38409 6.44147 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 6.70414 9.29635 5.77904 12.2421 9.91103 8.9682 numMergedOcc 0
30 mol 277 unq 1 iso 0 dist 6.70414 9.29635 5.77904 10.9521 7.0603 6.92711 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 7.47179 7.26542 5.10722 9.23896 6.06665 10.85 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 7.47179 7.26542 5.10722 9.23896 6.06665 10.85 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 7.47179 7.26542 5.10722 9.23896 6.06665 10.85 numMergedOcc 0
