0 mol 42 unq 0 iso 0 dist 9.82637 8.64833 11.4997 9.37073 9.29873 14.993 numMergedOcc 0
1 mol 66 unq 0 iso 0 dist 8.04639 7.69019 9.61194 6.03391 9.37957 10.7538 numMergedOcc 0
2 mol 89 unq 0 iso 0 dist 8.25651 9.51842 10.4087 7.94744 6.36021 10.458 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 6.9538 9.36111 5.04987 9.5165 7.38759 12.383 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 9.91446 9.26343 13.8729 11.6391 7.88564 19.2169 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 9.91446 9.26343 13.8729 8.46662 6.78459 11.5472 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 7.65229 7.63658 10.838 12.9793 6.85381 14.8158 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 5.87387 6.06543 5.59517 5.6579 8.42445 11.2415 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 4.93035 9.75558 6.21253 3.71857 6.42756 10.8958 numMergedOcc 0
9 mol 156 unq 0 iso 0 dist 7.39961 7.80643 5.76755 3.84324 8.81169 10.3078 numMergedOcc 0
10 mol 213 unq 0 iso 0 dist 6.82881 6.82185 5.45334 10.3239 4.58599 9.94786 numMergedOcc 0
11 mol 213 unq 1 iso 0 dist 6.82881 6.82185 5.45334 11.0972 8.78568 13.5801 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 7.96424 5.40366 6.89336 14.7144 8.48112 14.9294 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 7.96424 8.93637 13.4403 14.7144 8.48112 21.2942 numMergedOcc 0
14 mol 220 unq 2 iso 0 dist 8.93637 7.96424 13.4403 15.653 9.8711 15.7208 numMergedOcc 0
15 mol 220 unq 3 iso 0 dist 8.93637 5.40366 6.55533 15.653 9.8711 11.018 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 9.82174 9.2521 14.0328 10.7991 9.75174 14.7827 numMergedOcc 0
17 mol 238 unq 1 iso 0 dist 9.82174 8.51359 15.8898 10.7991 9.75174 12.6582 numMergedOcc 0
18 mol 238 unq 2 iso 0 dist 7.13194 7.2527 10.0191 8.83643 9.31417 15.7202 numMergedOcc 0
19 mol 238 unq 3 iso 0 dist 7.13194 7.2527 10.0191 4.55701 5.56719 11.1188 numMergedOcc 0
20 mol 238 unq 4 iso 0 dist 7.80166 9.29203 10.0191 11.1397 9.31417 15.7202 numMergedOcc 0
21 mol 238 unq 5 iso 0 dist 7.80166 9.29203 10.0191 8.53461 5.56719 11.1188 numMergedOcc 0
22 mol 238 unq 6 iso 0 dist 7.80166 7.62771 10.1648 11.1397 9.31417 17.1026 numMergedOcc 0
23 mol 238 unq 7 iso 0 dist 7.80166 7.62771 10.1648 8.53461 5.56719 12.9351 numMergedOcc 0
24 mol 249 unq 0 iso 0 dist 6.93507 6.42827 8.34718 6.06312 5.78121 7.29898 numMergedOcc 0
25 mol 249 unq 1 iso 0 dist 6.42827 6.93507 8.34718 6.06312 7.29898 5.78121 numMergedOcc 0
26 mol 249 unq 2 iso 0 dist 6.42827 6.93507 8.34718 10.3054 8.91685 10.4288 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 9.47382 6.49599 6.96053 12.8835 7.93997 13.8509 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 9.47382 9.34738 7.64658 12.8835 7.93997 14.9816 numMergedOcc 0
29 mol 271 unq 0 iso 0 dist 5.98336 9.04738 10.2122 8.87398 7.2671 11.3204 numMergedOcc 0
30 mol 271 unq 1 iso 0 dist 5.98336 8.68046 6.8467 8.87398 7.2671 13.4708 numMergedOcc 0
31 mol 271 unq 2 iso 0 dist 5.98336 9.67453 10.5503 8.87398 7.2671 16.4966 numMergedOcc 0
32 mol 272 unq 0 iso 0 dist 7.22438 7.66615 5.40809 9.38576 6.94346 11.7245 numMergedOcc 0
33 mol 272 unq 1 iso 0 dist 7.66615 7.22438 5.40809 14.8394 9.1118 10.342 numMergedOcc 0
34 mol 284 unq 0 iso 0 dist 9.27402 9.26573 5.87439 17.2173 8.27793 10.8451 numMergedOcc 0
