0 mol 7 unq 0 iso 0 dist 8.41585 6.81066 10.6 13.5229 7.78327 17.844 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 6.82505 7.88714 4.13564 3.78082 8.28153 10.5674 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 4.51865 6.10339 4.13497 4.44441 7.7312 8.96634 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 6.864 6.50337 10.3465 10.0411 7.7312 14.404 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 5.54419 8.80127 7.6222 6.7846 8.23075 7.18124 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 5.54419 8.80127 7.6222 8.03955 4.7841 6.47026 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.80331 9.89546 14.0634 12.6657 9.02471 18.2871 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 6.20293 9.07906 6.09486 14.0654 9.02471 10.4804 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 5.93252 6.13011 4.22425 3.85805 9.10566 9.98262 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 7.95579 8.81824 6.62562 8.37717 9.01812 7.67463 numMergedOcc 0
10 mol 88 unq 0 iso 0 dist 9.36773 9.54952 11.9839 10.8406 9.07128 18.5551 numMergedOcc 0
11 mol 88 unq 1 iso 0 dist 9.36773 9.54952 11.9839 4.47193 6.65615 11.4934 numMergedOcc 0
12 mol 88 unq 2 iso 0 dist 8.31336 9.54952 10.6664 4.47193 5.07548 11.4934 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 5.86073 5.94552 4.38244 13.0914 9.59585 13.9641 numMergedOcc 0
14 mol 113 unq 1 iso 0 dist 5.86073 5.94552 4.38244 12.5818 9.7073 12.6725 numMergedOcc 0
15 mol 120 unq 0 iso 0 dist 6.44653 8.1671 4.98499 3.824 6.42623 9.43682 numMergedOcc 0
16 mol 120 unq 1 iso 0 dist 6.44653 8.1671 4.98499 4.96885 8.95899 8.0564 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 5.87555 8.86966 8.18329 4.68615 6.79114 12.0971 numMergedOcc 0
18 mol 152 unq 1 iso 0 dist 5.87555 8.86966 8.18329 4.73288 7.59457 7.78215 numMergedOcc 0
19 mol 152 unq 2 iso 0 dist 8.87437 5.7527 8.18329 9.35878 6.79114 12.0971 numMergedOcc 0
20 mol 152 unq 3 iso 0 dist 8.87437 5.7527 8.18329 4.70284 7.59457 7.78215 numMergedOcc 0
21 mol 152 unq 4 iso 0 dist 6.70283 8.86966 5.97115 4.73288 9.00072 7.78215 numMergedOcc 0
22 mol 152 unq 5 iso 0 dist 7.16148 5.7527 5.97115 4.70284 9.00072 7.78215 numMergedOcc 0
23 mol 152 unq 6 iso 0 dist 8.67331 8.86966 4.36394 4.73288 7.55419 7.78215 numMergedOcc 0
24 mol 152 unq 7 iso 0 dist 8.05741 5.7527 4.36394 4.70284 7.55419 7.78215 numMergedOcc 0
25 mol 167 unq 0 iso 0 dist 9.87651 5.72735 6.38496 12.8624 5.36671 9.87581 numMergedOcc 0
26 mol 169 unq 0 iso 0 dist 8.49164 6.21943 4.19562 17.056 9.37946 13.5154 numMergedOcc 0
27 mol 169 unq 1 iso 0 dist 8.49164 6.21943 4.19562 13.8168 9.13646 12.1835 numMergedOcc 0
28 mol 169 unq 2 iso 0 dist 8.49164 6.21943 4.19562 11.1511 8.34216 9.66151 numMergedOcc 0
29 mol 178 unq 0 iso 0 dist 6.69288 8.4173 4.43082 4.69387 4.72821 6.53017 numMergedOcc 0
30 mol 178 unq 1 iso 0 dist 7.17202 6.55543 4.43082 7.39705 4.72821 6.53017 numMergedOcc 0
31 mol 205 unq 0 iso 0 dist 7.26832 7.23959 12.3578 13.3822 7.13783 19.3257 numMergedOcc 0
32 mol 231 unq 0 iso 0 dist 7.37839 7.31553 6.58152 16.456 9.9868 14.2243 numMergedOcc 0
33 mol 231 unq 1 iso 0 dist 7.37839 7.31553 6.58152 6.63423 7.3268 5.45266 numMergedOcc 0
34 mol 235 unq 0 iso 0 dist 5.4638 8.95981 4.60986 4.75609 8.08965 10.1399 numMergedOcc 0
35 mol 265 unq 0 iso 0 dist 8.4218 8.95701 5.78373 7.71667 5.7944 10.7671 numMergedOcc 0
36 mol 277 unq 0 iso 0 dist 9.7748 6.64082 10.9417 7.75371 5.69112 11.1081 numMergedOcc 0
37 mol 277 unq 1 iso 0 dist 9.7748 6.64082 10.9417 11.3546 7.2091 13.8832 numMergedOcc 0
