0 mol 5 unq 0 iso 0 dist 8.25372 10.7254 7.44029 7.57575 7.95876 4.07788 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.87762 8.62176 9.81143 12.9926 7.18022 9.84195 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 8.21762 8.62176 9.78839 12.9926 6.24711 9.84195 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 7.39124 10.7612 7.57749 5.55112 9.9787 14.3993 numMergedOcc 0
4 mol 46 unq 1 iso 0 dist 7.39124 6.57152 8.55202 5.55112 9.9787 4.53545 numMergedOcc 0
5 mol 53 unq 0 iso 0 dist 9.06787 12.2544 5.40748 5.87231 7.28228 8.17272 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 6.86162 7.94311 7.93171 6.60662 9.2898 7.82856 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 5.65006 5.94401 6.63973 5.27863 8.23026 9.42791 numMergedOcc 0
8 mol 88 unq 0 iso 0 dist 9.54537 14.7235 9.44737 14.437 7.51139 4.88949 numMergedOcc 0
9 mol 88 unq 1 iso 0 dist 9.54537 14.7235 9.44737 4.31214 7.80898 13.7888 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 5.15951 4.3613 6.67635 7.41993 7.86666 10.0698 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 5.15951 4.3613 6.67635 13.345 9.77497 11.8455 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 6.53198 8.97892 6.12348 13.9402 8.80934 14.0364 numMergedOcc 0
13 mol 113 unq 1 iso 0 dist 6.53198 5.45975 7.2672 13.9402 8.80934 12.1308 numMergedOcc 0
14 mol 117 unq 0 iso 0 dist 8.15473 4.82309 6.78655 10.0436 8.19331 5.27151 numMergedOcc 0
15 mol 117 unq 1 iso 0 dist 8.15473 4.82309 6.78655 6.81312 8.85711 4.45276 numMergedOcc 0
16 mol 117 unq 2 iso 0 dist 8.15473 3.47603 9.42037 10.0436 8.19331 10.6616 numMergedOcc 0
17 mol 117 unq 3 iso 0 dist 8.15473 3.47603 9.42037 6.81312 8.85711 4.98254 numMergedOcc 0
18 mol 144 unq 0 iso 0 dist 8.85737 4.28185 7.46026 7.12825 7.64028 4.6812 numMergedOcc 0
19 mol 146 unq 0 iso 0 dist 8.82192 3.96561 6.93154 7.05046 9.04757 5.44003 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 8.55819 6.97276 6.32334 5.30529 6.99769 6.31508 numMergedOcc 0
21 mol 224 unq 1 iso 0 dist 8.55819 6.97276 6.32334 10.5504 8.79428 5.72088 numMergedOcc 0
22 mol 224 unq 2 iso 0 dist 8.55819 6.97276 6.32334 12.7033 6.8692 6.51315 numMergedOcc 0
23 mol 225 unq 0 iso 0 dist 4.58113 5.21233 7.25438 6.87089 8.14831 9.20928 numMergedOcc 0
24 mol 233 unq 0 iso 0 dist 7.86214 11.237 7.1229 10.8561 8.51625 6.52848 numMergedOcc 0
25 mol 233 unq 1 iso 0 dist 7.86214 7.79118 9.55705 10.8561 8.51625 5.51 numMergedOcc 0
26 mol 233 unq 2 iso 0 dist 5.29501 5.5881 7.1229 5.19558 8.51625 6.52848 numMergedOcc 0
27 mol 233 unq 3 iso 0 dist 5.29501 5.60683 9.55705 5.19558 8.51625 5.51 numMergedOcc 0
28 mol 233 unq 4 iso 0 dist 8.81206 11.4518 7.1229 6.48373 8.51625 6.52848 numMergedOcc 0
29 mol 233 unq 5 iso 0 dist 8.81206 3.75722 9.55705 6.48373 8.51625 5.51 numMergedOcc 0
30 mol 257 unq 0 iso 0 dist 8.76085 4.86922 8.70029 9.4018 8.83833 6.45947 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 9.93282 10.1934 4.95855 5.69584 5.85442 5.41945 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 9.93282 10.1934 4.95855 15.3167 6.9899 5.59901 numMergedOcc 0
33 mol 259 unq 2 iso 0 dist 8.90555 10.1934 7.72489 6.00315 9.46361 12.1767 numMergedOcc 0
34 mol 259 unq 3 iso 0 dist 8.90555 10.1934 7.72489 5.69584 6.95511 5.41945 numMergedOcc 0
