0 mol 62 unq 0 iso 0 dist 6.35789 8.7531 5.94657 3.71033 7.95291 10.6151 numMergedOcc 0
1 mol 62 unq 1 iso 0 dist 6.35789 7.25138 13.0684 3.71033 7.95291 9.24339 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 8.34804 8.4702 8.43533 3.77705 6.44825 5.88409 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 5.73908 5.57551 5.08181 10.6719 8.52421 11.408 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 6.77421 5.57551 8.41751 6.56256 9.90923 8.19932 numMergedOcc 0
5 mol 116 unq 0 iso 0 dist 7.67429 8.50194 8.53743 6.67053 8.33185 13.662 numMergedOcc 0
6 mol 152 unq 0 iso 0 dist 5.28423 9.28062 7.01747 5.27395 6.75471 13.187 numMergedOcc 0
7 mol 204 unq 0 iso 0 dist 8.40718 8.29256 13.1706 12.5259 5.81438 18.0024 numMergedOcc 0
8 mol 204 unq 1 iso 0 dist 8.40718 7.8274 5.79978 12.5259 5.81438 11.2327 numMergedOcc 0
9 mol 205 unq 0 iso 0 dist 7.55333 9.16671 10.9814 3.69062 6.50586 7.4185 numMergedOcc 0
10 mol 205 unq 1 iso 0 dist 7.84215 8.87165 3.50159 10.0544 6.75579 4.97301 numMergedOcc 0
11 mol 215 unq 0 iso 0 dist 5.92204 9.25387 4.31172 3.522 8.28951 12.0212 numMergedOcc 0
12 mol 215 unq 1 iso 0 dist 7.16839 9.25387 5.44866 3.522 9.66981 12.0212 numMergedOcc 0
13 mol 217 unq 0 iso 0 dist 8.72578 8.99517 12.1223 3.59923 6.58871 8.77705 numMergedOcc 0
14 mol 217 unq 1 iso 0 dist 8.80103 8.99517 5.32856 14.0701 8.98494 12.3785 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 9.17911 6.61322 13.3447 11.5766 9.6327 13.5574 numMergedOcc 0
16 mol 258 unq 1 iso 0 dist 9.46746 8.77675 9.00563 9.21014 9.81589 15.4849 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 6.70414 5.11998 5.11865 12.2421 9.91103 13.9096 numMergedOcc 0
18 mol 277 unq 1 iso 0 dist 6.70414 5.11998 5.11865 10.9521 7.0603 11.5963 numMergedOcc 0
19 mol 277 unq 2 iso 0 dist 6.70414 5.79925 8.46455 12.2421 9.91103 16.9668 numMergedOcc 0
20 mol 277 unq 3 iso 0 dist 6.70414 5.79925 8.46455 10.9521 7.0603 14.8995 numMergedOcc 0
21 mol 285 unq 0 iso 0 dist 5.76796 6.73396 4.57431 9.11313 5.49829 10.0463 numMergedOcc 0
22 mol 285 unq 1 iso 0 dist 5.76796 6.73396 4.57431 6.01574 6.24134 7.73438 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 6.76192 9.40443 13.2202 5.64662 7.19568 14.7119 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 6.76192 9.40443 13.2202 5.64662 7.19568 14.7119 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 6.76192 9.40443 13.2202 5.64662 7.19568 14.7119 numMergedOcc 0
