0 mol 25 unq 0 iso 0 dist 8.94828 9.23015 5.63212 14.2406 7.57578 10.9703 15.6642 7.17969 10.3338 4.33106 numMergedOcc 0
1 mol 25 unq 0 iso 1 dist 8.94828 9.23015 5.63212 15.6642 7.17969 10.3338 14.2406 7.57578 10.9703 4.33106 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 5.36895 4.29713 7.18662 5.07641 7.99312 8.76849 8.54745 8.2183 11.4753 5.36342 numMergedOcc 0
3 mol 41 unq 0 iso 1 dist 5.36895 4.29713 7.18662 8.54745 8.2183 11.4753 5.07641 7.99312 8.76849 5.36342 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.06275 8.74209 5.41726 5.5249 8.80331 6.6263 10.4413 6.20293 6.75943 8.13395 numMergedOcc 0
5 mol 43 unq 0 iso 1 dist 8.06275 8.74209 5.41726 10.4413 6.20293 6.75943 5.5249 8.80331 6.6263 8.13395 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 9.43143 9.73435 4.03844 10.5786 8.8178 12.4827 16.2349 9.96708 12.111 10.7394 numMergedOcc 0
7 mol 72 unq 0 iso 1 dist 9.43143 9.73435 4.03844 16.2349 9.96708 12.111 10.5786 8.8178 12.4827 10.7394 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 5.48831 9.20886 7.07356 13.0773 9.96708 12.1131 10.5933 9.78528 7.66093 8.24309 numMergedOcc 0
9 mol 72 unq 1 iso 1 dist 5.48831 9.20886 7.07356 10.5933 9.78528 7.66093 13.0773 9.96708 12.1131 8.24309 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 9.42271 7.76446 15.9138 6.16353 6.54501 12.4385 7.07625 6.49416 11.0808 5.00526 numMergedOcc 0
11 mol 134 unq 0 iso 1 dist 9.42271 7.76446 15.9138 7.07625 6.49416 11.0808 6.16353 6.54501 12.4385 5.00526 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 9.42271 6.14652 12.3479 6.16353 6.54501 11.2896 7.07625 6.49416 9.33094 5.00526 numMergedOcc 0
13 mol 134 unq 1 iso 1 dist 9.42271 6.14652 12.3479 7.07625 6.49416 9.33094 6.16353 6.54501 11.2896 5.00526 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 5.79157 7.96353 10.7951 13.0109 9.86662 19.209 14.1608 9.71307 20.4188 5.49782 numMergedOcc 0
15 mol 134 unq 2 iso 1 dist 5.79157 7.96353 10.7951 14.1608 9.71307 20.4188 13.0109 9.86662 19.209 5.49782 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 8.34839 9.4275 5.39112 5.65129 8.56324 6.59889 10.5295 6.70283 6.70693 7.65448 numMergedOcc 0
17 mol 152 unq 0 iso 1 dist 8.34839 9.4275 5.39112 10.5295 6.70283 6.70693 5.65129 8.56324 6.59889 7.65448 numMergedOcc 0
18 mol 152 unq 1 iso 0 dist 8.34839 9.4275 5.39112 5.65129 8.56324 6.59889 10.7929 7.16148 10.4895 10.6875 numMergedOcc 0
19 mol 152 unq 1 iso 1 dist 8.34839 9.4275 5.39112 10.7929 7.16148 10.4895 5.65129 8.56324 6.59889 10.6875 numMergedOcc 0
20 mol 152 unq 1 iso 0 dist 8.34839 9.4275 5.39112 10.5295 6.70283 6.70693 10.7929 7.16148 10.4895 5.49936 numMergedOcc 0
21 mol 152 unq 1 iso 1 dist 8.34839 9.4275 5.39112 10.7929 7.16148 10.4895 10.5295 6.70283 6.70693 5.49936 numMergedOcc 0
22 mol 152 unq 2 iso 0 dist 8.34839 9.83462 4.84714 5.65129 8.56324 8.9192 10.5295 6.70283 9.27706 7.65448 numMergedOcc 0
23 mol 152 unq 2 iso 1 dist 8.34839 9.83462 4.84714 10.5295 6.70283 9.27706 5.65129 8.56324 8.9192 7.65448 numMergedOcc 0
24 mol 152 unq 3 iso 0 dist 8.34839 9.83462 4.84714 5.65129 8.56324 8.9192 10.7929 7.16148 11.6735 10.6875 numMergedOcc 0
25 mol 152 unq 3 iso 1 dist 8.34839 9.83462 4.84714 10.7929 7.16148 11.6735 5.65129 8.56324 8.9192 10.6875 numMergedOcc 0
26 mol 152 unq 3 iso 0 dist 8.34839 9.83462 4.84714 10.5295 6.70283 9.27706 10.7929 7.16148 11.6735 5.49936 numMergedOcc 0
27 mol 152 unq 3 iso 1 dist 8.34839 9.83462 4.84714 10.7929 7.16148 11.6735 10.5295 6.70283 9.27706 5.49936 numMergedOcc 0
28 mol 178 unq 0 iso 0 dist 8.04723 8.81097 10.8373 14.4072 6.69288 15.7548 13.0519 6.43573 17.2277 5.34677 numMergedOcc 0
29 mol 178 unq 0 iso 1 dist 8.04723 8.81097 10.8373 13.0519 6.43573 17.2277 14.4072 6.69288 15.7548 5.34677 numMergedOcc 0
30 mol 178 unq 1 iso 0 dist 8.04723 8.81097 10.8373 14.4072 6.69288 15.7548 10.5681 7.17202 13.544 11.7381 numMergedOcc 0
31 mol 178 unq 1 iso 1 dist 8.04723 8.81097 10.8373 10.5681 7.17202 13.544 14.4072 6.69288 15.7548 11.7381 numMergedOcc 0
32 mol 178 unq 2 iso 0 dist 8.04723 8.81097 10.8373 14.4072 6.69288 15.7548 9.1499 8.81551 15.2622 14.0703 numMergedOcc 0
33 mol 178 unq 2 iso 1 dist 8.04723 8.81097 10.8373 9.1499 8.81551 15.2622 14.4072 6.69288 15.7548 14.0703 numMergedOcc 0
34 mol 178 unq 1 iso 0 dist 8.04723 8.81097 10.8373 13.0519 6.43573 17.2277 10.5681 7.17202 13.544 9.89739 numMergedOcc 0
35 mol 178 unq 1 iso 1 dist 8.04723 8.81097 10.8373 10.5681 7.17202 13.544 13.0519 6.43573 17.2277 9.89739 numMergedOcc 0
36 mol 178 unq 2 iso 0 dist 8.04723 8.81097 10.8373 13.0519 6.43573 17.2277 9.1499 8.81551 15.2622 10.5529 numMergedOcc 0
37 mol 178 unq 2 iso 1 dist 8.04723 8.81097 10.8373 9.1499 8.81551 15.2622 13.0519 6.43573 17.2277 10.5529 numMergedOcc 0
38 mol 178 unq 2 iso 0 dist 8.04723 8.81097 10.8373 10.5681 7.17202 13.544 9.1499 8.81551 15.2622 5.18005 numMergedOcc 0
39 mol 178 unq 2 iso 1 dist 8.04723 8.81097 10.8373 9.1499 8.81551 15.2622 10.5681 7.17202 13.544 5.18005 numMergedOcc 0
40 mol 229 unq 0 iso 0 dist 6.88694 9.90415 7.22525 6.52416 7.03423 7.27993 11.1919 9.06952 11.9869 6.84129 numMergedOcc 0
41 mol 229 unq 0 iso 1 dist 6.88694 9.90415 7.22525 11.1919 9.06952 11.9869 6.52416 7.03423 7.27993 6.84129 numMergedOcc 0
42 mol 229 unq 1 iso 0 dist 6.88694 6.92268 4.92403 6.52416 7.03423 10.3243 11.1919 9.06952 13.7137 6.84129 numMergedOcc 0
43 mol 229 unq 1 iso 1 dist 6.88694 6.92268 4.92403 11.1919 9.06952 13.7137 6.52416 7.03423 10.3243 6.84129 numMergedOcc 0
44 mol 236 unq 0 iso 0 dist 8.95071 5.9625 10.5937 18.4732 9.99038 19.0739 12.8358 6.27581 15.106 7.28249 numMergedOcc 0
45 mol 236 unq 0 iso 1 dist 8.95071 5.9625 10.5937 12.8358 6.27581 15.106 18.4732 9.99038 19.0739 7.28249 numMergedOcc 0
46 mol 248 unq 0 iso 0 dist 7.40475 5.65458 7.48679 7.63032 7.69895 10.6429 6.42334 7.21521 10.9783 5.55137 numMergedOcc 0
47 mol 248 unq 0 iso 1 dist 7.40475 5.65458 7.48679 6.42334 7.21521 10.9783 7.63032 7.69895 10.6429 5.55137 numMergedOcc 0
48 mol 248 unq 1 iso 0 dist 7.40475 5.65458 7.48679 7.63032 7.69895 10.6429 6.86606 8.2965 10.6091 10.8081 numMergedOcc 0
49 mol 248 unq 1 iso 1 dist 7.40475 5.65458 7.48679 6.86606 8.2965 10.6091 7.63032 7.69895 10.6429 10.8081 numMergedOcc 0
50 mol 248 unq 1 iso 0 dist 7.40475 5.65458 7.48679 6.42334 7.21521 10.9783 6.86606 8.2965 10.6091 5.86196 numMergedOcc 0
51 mol 248 unq 1 iso 1 dist 7.40475 5.65458 7.48679 6.86606 8.2965 10.6091 6.42334 7.21521 10.9783 5.86196 numMergedOcc 0
