0 mol 16 unq 0 iso 0 dist 8.17898 5.72175 5.05803 9.62324 6.57331 4.65873 12.7747 5.38671 8.33883 8.63347 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.23292 12.4427 5.04899 11.7739 7.52933 5.03027 12.4912 13.7275 13.353 9.10473 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.23292 12.4427 5.04899 9.6251 8.23761 8.17061 12.4912 13.7275 13.353 9.20827 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 7.44784 7.64822 7.30858 6.3642 6.04595 5.03039 12.0912 5.78906 11.1013 8.32738 numMergedOcc 0
4 mol 143 unq 0 iso 0 dist 5.30872 6.3915 5.99315 5.88056 5.37047 4.78563 6.68364 5.4432 9.32441 5.44814 numMergedOcc 0
5 mol 143 unq 1 iso 0 dist 7.5984 5.11989 5.99315 14.6282 7.36975 13.1926 10.8896 4.98373 9.73212 6.45477 numMergedOcc 0
6 mol 186 unq 0 iso 0 dist 7.45401 6.8549 7.54065 5.85073 6.61112 11.0961 14.1863 10.568 16.7935 9.82338 numMergedOcc 0
7 mol 223 unq 0 iso 0 dist 9.94212 11.4946 8.77153 8.1388 6.42257 4.04036 7.80764 4.67731 12.0111 8.85178 numMergedOcc 0
8 mol 223 unq 1 iso 0 dist 9.94212 11.4946 8.77153 8.1388 6.42257 4.04036 11.1639 5.39302 10.8604 7.8233 numMergedOcc 0
9 mol 223 unq 2 iso 0 dist 9.94212 11.4946 8.77153 8.1388 6.42257 4.04036 5.75896 7.19485 9.5211 5.50267 numMergedOcc 0
10 mol 223 unq 3 iso 0 dist 9.94212 11.4946 8.77153 14.288 9.33543 13.1538 7.80764 4.67731 12.0111 9.73123 numMergedOcc 0
11 mol 223 unq 4 iso 0 dist 9.94212 13.1422 8.6166 8.1388 6.42257 9.47076 7.80764 4.67731 10.6785 8.85178 numMergedOcc 0
12 mol 223 unq 5 iso 0 dist 9.94212 13.1422 8.6166 8.1388 6.42257 9.47076 11.1639 5.39302 13.7049 7.8233 numMergedOcc 0
13 mol 223 unq 6 iso 0 dist 9.94212 13.1422 8.6166 8.1388 6.42257 9.47076 5.75896 7.19485 13.3416 5.50267 numMergedOcc 0
14 mol 223 unq 7 iso 0 dist 9.94212 13.1422 8.6166 14.288 9.33543 5.39728 7.80764 4.67731 10.6785 9.73123 numMergedOcc 0
15 mol 232 unq 0 iso 0 dist 7.47238 10.134 8.27212 6.2559 6.71524 5.10213 5.92175 4.90814 11.2186 9.11418 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 9.27989 12.1502 6.16342 3.28983 6.73665 10.6736 10.2234 5.29737 6.37342 7.69491 numMergedOcc 0
17 mol 239 unq 1 iso 0 dist 9.27989 12.1502 6.16342 3.28983 6.73665 10.6736 8.34832 11.4465 15.8376 6.64008 numMergedOcc 0
18 mol 248 unq 0 iso 0 dist 6.44967 9.48478 7.69895 9.33595 9.05018 4.58289 8.11968 4.53213 8.71859 7.90773 numMergedOcc 0
19 mol 276 unq 0 iso 0 dist 5.30976 7.38126 9.8993 3.87012 8.6759 9.39944 8.14494 9.95911 15.3786 7.11952 numMergedOcc 0
20 mol 276 unq 1 iso 0 dist 5.30976 6.39319 6.87396 3.87012 8.6759 8.26321 8.14494 9.95911 13.3495 7.11952 numMergedOcc 0
