0 mol 39 unq 0 iso 0 dist 8.4436 6.17708 3.91611 11.639 9.02925 10.3522 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 8.44761 6.09085 5.75753 8.24064 9.87699 8.71074 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 4.95459 7.21134 11.1059 5.046 9.06469 9.4053 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 4.76028 8.59103 7.14708 4.42089 5.54226 11.905 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 8.49444 5.32773 7.1951 6.04365 7.40338 9.06319 numMergedOcc 0
5 mol 113 unq 1 iso 0 dist 5.55446 5.32773 3.84573 3.71942 5.35711 4.30875 numMergedOcc 0
6 mol 113 unq 2 iso 0 dist 5.55446 5.32773 3.84573 6.04365 6.23759 9.06319 numMergedOcc 0
7 mol 128 unq 0 iso 0 dist 4.89256 6.6014 5.91388 5.43682 7.4442 10.5256 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 8.85675 8.59532 14.2356 5.71332 8.90588 10.4142 numMergedOcc 0
9 mol 169 unq 0 iso 0 dist 9.03552 5.30818 7.33583 6.399 7.85698 9.23839 numMergedOcc 0
10 mol 169 unq 1 iso 0 dist 9.03552 5.30818 7.33583 15.6919 8.75484 12.3221 numMergedOcc 0
11 mol 169 unq 2 iso 0 dist 5.77897 5.30818 3.95773 3.61063 5.41121 4.11374 numMergedOcc 0
12 mol 169 unq 3 iso 0 dist 5.77897 5.30818 3.95773 6.399 6.35799 9.23839 numMergedOcc 0
13 mol 169 unq 4 iso 0 dist 8.59976 8.89822 7.33583 15.445 7.85698 9.23839 numMergedOcc 0
14 mol 169 unq 5 iso 0 dist 8.59976 8.89822 7.33583 4.8357 8.75484 12.3221 numMergedOcc 0
15 mol 169 unq 6 iso 0 dist 9.71763 8.89822 3.95773 12.9917 5.41121 4.11374 numMergedOcc 0
16 mol 169 unq 7 iso 0 dist 9.71763 8.89822 3.95773 15.445 6.35799 9.23839 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 6.71675 8.33147 3.7949 9.24858 7.02762 9.72476 numMergedOcc 0
18 mol 184 unq 1 iso 0 dist 6.71675 8.09403 4.67256 9.24858 7.02762 5.23187 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 6.0685 9.16579 6.42554 4.59453 8.2241 13.1584 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 6.0685 8.95209 3.87082 4.59453 8.2241 9.4366 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 6.32542 9.71147 8.8607 3.30102 5.59832 11.0548 numMergedOcc 0
22 mol 205 unq 1 iso 0 dist 6.32542 6.32553 5.28417 3.30102 5.59832 4.97301 numMergedOcc 0
23 mol 213 unq 0 iso 0 dist 9.65238 8.38045 5.68665 10.9151 9.34602 13.1283 numMergedOcc 0
24 mol 213 unq 1 iso 0 dist 9.65238 8.04327 8.75651 10.9151 9.34602 12.7691 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 6.90717 5.56977 3.91276 6.35783 9.06389 8.7434 numMergedOcc 0
26 mol 217 unq 0 iso 0 dist 5.88992 9.41353 11.304 5.14513 8.4493 10.4373 numMergedOcc 0
27 mol 217 unq 1 iso 0 dist 5.88992 8.28155 9.98266 5.14513 8.4493 6.19602 numMergedOcc 0
28 mol 217 unq 2 iso 0 dist 5.19677 7.83824 4.17047 5.58323 8.4493 12.2956 numMergedOcc 0
29 mol 235 unq 0 iso 0 dist 7.90349 6.92276 5.2878 5.7279 8.73715 8.60314 numMergedOcc 0
30 mol 260 unq 0 iso 0 dist 4.76698 8.19223 12.3914 9.77348 6.49413 17.6799 numMergedOcc 0
31 mol 260 unq 1 iso 0 dist 4.76698 8.19223 12.3914 8.11438 6.12343 14.2957 numMergedOcc 0
32 mol 260 unq 2 iso 0 dist 4.76698 8.19223 12.3914 3.43932 4.52405 11.2133 numMergedOcc 0
