0 mol 9 unq 0 iso 0 dist 9.3359 6.44447 4.75533 6.1134 9.05556 9.11628 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 9.02073 12.6645 7.93498 11.0284 9.2934 5.23555 numMergedOcc 0
2 mol 83 unq 0 iso 0 dist 9.75749 10.8383 7.69755 6.33709 9.55089 10.7694 numMergedOcc 0
3 mol 83 unq 1 iso 0 dist 9.75749 13.8436 9.64197 6.33709 9.55089 10.9198 numMergedOcc 0
4 mol 102 unq 0 iso 0 dist 9.05595 7.4117 9.51771 4.07607 9.61193 6.43211 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 8.18356 6.20949 7.4113 8.02411 9.00059 3.97585 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 8.18356 6.20949 7.4113 10.3802 9.87517 14.7066 numMergedOcc 0
7 mol 114 unq 2 iso 0 dist 8.18356 6.20949 7.4113 7.20216 7.90713 10.8705 numMergedOcc 0
8 mol 114 unq 3 iso 0 dist 8.18356 15.013 8.53631 8.02411 9.00059 14.6592 numMergedOcc 0
9 mol 114 unq 4 iso 0 dist 8.18356 15.013 8.53631 10.3802 9.87517 11.153 numMergedOcc 0
10 mol 114 unq 5 iso 0 dist 8.18356 15.013 8.53631 7.20216 7.90713 10.046 numMergedOcc 0
11 mol 176 unq 0 iso 0 dist 5.23992 7.86601 8.79752 5.07632 7.69241 5.22451 numMergedOcc 0
12 mol 176 unq 1 iso 0 dist 9.1617 7.86601 7.58281 5.07632 8.6431 5.22451 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 7.82717 8.15466 6.97766 8.15793 6.7279 8.42816 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 6.6747 9.14049 9.81055 5.50852 9.60788 11.9612 numMergedOcc 0
15 mol 194 unq 1 iso 0 dist 6.28412 15.4443 9.81055 12.9562 9.60788 11.9612 numMergedOcc 0
16 mol 249 unq 0 iso 0 dist 5.3865 5.7486 6.62413 10.0482 9.38713 13.364 numMergedOcc 0
17 mol 252 unq 0 iso 0 dist 4.15692 10.2256 9.09279 4.77502 6.71152 12.4893 numMergedOcc 0
18 mol 257 unq 0 iso 0 dist 9.12546 11.3284 8.23073 4.43997 9.62817 8.93071 numMergedOcc 0
19 mol 257 unq 1 iso 0 dist 8.71617 10.5994 8.23073 3.72932 9.62817 8.93071 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 9.20906 9.22203 4.95415 4.37625 7.66814 9.62862 numMergedOcc 0
21 mol 266 unq 1 iso 0 dist 9.20906 9.32644 6.38519 4.37625 7.66814 5.25529 numMergedOcc 0
22 mol 266 unq 2 iso 0 dist 9.03099 13.3047 4.95415 10.8986 7.66814 9.62862 numMergedOcc 0
23 mol 266 unq 3 iso 0 dist 9.03099 5.66268 6.38519 10.8986 7.66814 5.25529 numMergedOcc 0
24 mol 284 unq 0 iso 0 dist 5.06373 10.1082 8.2236 9.68756 8.2474 15.479 numMergedOcc 0
