0 mol 1 unq 0 iso 0 dist 5.74199 7.28542 7.68226 10.2665 7.29854 6.86701 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 5.86243 5.45205 8.62204 7.57586 5.39129 9.19165 numMergedOcc 0
2 mol 38 unq 1 iso 0 dist 7.55357 9.37501 8.62204 11.7939 5.39129 9.19165 numMergedOcc 0
3 mol 88 unq 0 iso 0 dist 9.64551 3.42334 6.89706 9.25163 8.44462 7.51139 numMergedOcc 0
4 mol 88 unq 1 iso 0 dist 9.64551 3.42334 6.89706 10.751 6.07226 7.80898 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 8.67865 5.99325 8.67475 10.9081 10.7572 8.3773 numMergedOcc 0
6 mol 127 unq 0 iso 0 dist 8.48435 7.11961 9.17001 13.1721 11.1351 7.79505 numMergedOcc 0
7 mol 127 unq 1 iso 0 dist 8.48435 7.11961 9.17001 11.2973 6.08871 7.36199 numMergedOcc 0
8 mol 139 unq 0 iso 0 dist 9.75151 12.9862 9.07404 16.5585 10.3273 5.80789 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 6.68364 5.88056 5.44814 5.30872 5.4432 5.37047 numMergedOcc 0
10 mol 162 unq 0 iso 0 dist 8.954 8.39434 9.95076 9.42819 8.35998 7.37333 numMergedOcc 0
11 mol 162 unq 1 iso 0 dist 8.954 4.92282 7.76112 9.42819 8.35998 7.45998 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 8.14441 11.8474 6.95432 18.3231 12.2822 7.06025 numMergedOcc 0
13 mol 184 unq 0 iso 0 dist 9.45847 16.6018 9.16535 21.9682 12.5217 9.90822 numMergedOcc 0
14 mol 218 unq 0 iso 0 dist 4.61671 8.06186 8.38813 13.1458 9.92743 8.75536 numMergedOcc 0
15 mol 218 unq 1 iso 0 dist 4.61671 8.06186 8.38813 14.0877 12.0573 7.33709 numMergedOcc 0
16 mol 218 unq 2 iso 0 dist 4.61671 8.06186 8.38813 10.6908 8.31343 6.67404 numMergedOcc 0
17 mol 218 unq 3 iso 0 dist 8.44004 7.45028 8.38813 12.1227 9.92743 8.75536 numMergedOcc 0
18 mol 218 unq 4 iso 0 dist 8.44004 7.45028 8.38813 13.0264 12.0573 7.33709 numMergedOcc 0
19 mol 218 unq 5 iso 0 dist 8.44004 7.45028 8.38813 12.5172 8.31343 6.67404 numMergedOcc 0
20 mol 219 unq 0 iso 0 dist 4.67452 4.74338 8.38773 8.09769 10.0509 4.33238 numMergedOcc 0
21 mol 219 unq 1 iso 0 dist 4.67452 4.74338 8.38773 7.24832 5.48556 7.83604 numMergedOcc 0
22 mol 219 unq 2 iso 0 dist 9.86916 13.1198 8.38773 16.9289 10.0509 4.33238 numMergedOcc 0
23 mol 219 unq 3 iso 0 dist 9.86916 13.1198 8.38773 14.6122 5.48556 7.83604 numMergedOcc 0
24 mol 223 unq 0 iso 0 dist 6.03408 11.7563 8.85178 9.52613 4.67731 6.42257 numMergedOcc 0
25 mol 223 unq 1 iso 0 dist 6.03408 8.87398 9.73123 9.52613 4.67731 9.33543 numMergedOcc 0
26 mol 223 unq 2 iso 0 dist 7.80764 8.1388 8.85178 9.94212 4.67731 6.42257 numMergedOcc 0
27 mol 223 unq 3 iso 0 dist 7.80764 14.288 9.73123 9.94212 4.67731 9.33543 numMergedOcc 0
28 mol 223 unq 4 iso 0 dist 5.75896 8.1388 5.50267 9.94212 7.19485 6.42257 numMergedOcc 0
29 mol 232 unq 0 iso 0 dist 7.76477 10.2308 9.11418 11.026 4.90814 6.71524 numMergedOcc 0
30 mol 232 unq 1 iso 0 dist 6.82688 13.0806 9.11418 10.8093 4.90814 6.71524 numMergedOcc 0
31 mol 232 unq 2 iso 0 dist 5.92175 6.2559 9.11418 7.47238 4.90814 6.71524 numMergedOcc 0
32 mol 239 unq 0 iso 0 dist 8.34832 3.28983 6.64008 9.27989 11.4465 6.73665 numMergedOcc 0
33 mol 239 unq 1 iso 0 dist 8.34832 3.28983 6.64008 12.015 5.08687 9.34438 numMergedOcc 0
34 mol 239 unq 2 iso 0 dist 8.34832 3.28983 6.64008 11.3081 12.4215 9.35949 numMergedOcc 0
35 mol 248 unq 0 iso 0 dist 8.11968 9.33595 7.90773 6.44967 4.53213 9.05018 numMergedOcc 0
36 mol 257 unq 0 iso 0 dist 8.98346 12.6474 5.81865 12.9934 5.86413 8.83833 numMergedOcc 0
37 mol 276 unq 0 iso 0 dist 8.14494 3.87012 7.11952 5.30976 9.95911 8.6759 numMergedOcc 0
38 mol 279 unq 0 iso 0 dist 5.78017 4.91802 8.9352 6.47376 5.34376 6.35028 numMergedOcc 0
39 mol 279 unq 1 iso 0 dist 6.12742 9.35656 8.9352 9.6147 5.34376 6.35028 numMergedOcc 0
40 mol 279 unq 2 iso 0 dist 8.78203 4.91802 5.8845 6.47376 5.86731 6.35028 numMergedOcc 0
41 mol 287 unq 0 iso 0 dist 4.49185 10.6613 9.94851 10.8114 8.96892 7.45616 numMergedOcc 0
42 mol 287 unq 1 iso 0 dist 7.22938 12.7859 9.94851 14.883 8.96892 7.45616 numMergedOcc 0
43 mol 287 unq 2 iso 0 dist 9.94176 15.0697 9.94851 18.0032 8.96892 7.45616 numMergedOcc 0
44 mol 288 unq 0 iso 0 dist 4.49185 10.6613 9.94851 10.8114 8.96892 7.45616 numMergedOcc 0
45 mol 288 unq 1 iso 0 dist 7.22938 12.7859 9.94851 14.883 8.96892 7.45616 numMergedOcc 0
46 mol 288 unq 2 iso 0 dist 9.94176 15.0697 9.94851 18.0032 8.96892 7.45616 numMergedOcc 0
47 mol 289 unq 0 iso 0 dist 4.49185 10.6613 9.94851 10.8114 8.96892 7.45616 numMergedOcc 0
48 mol 289 unq 1 iso 0 dist 7.22938 12.7859 9.94851 14.883 8.96892 7.45616 numMergedOcc 0
49 mol 289 unq 2 iso 0 dist 9.94176 15.0697 9.94851 18.0032 8.96892 7.45616 numMergedOcc 0
