0 mol 24 unq 0 iso 0 dist 8.86116 6.86014 10.0952 6.60423 5.97304 6.00575 5.86882 6.07553 10.0889 5.47982 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.86116 6.86014 10.0952 6.60423 5.97304 6.00575 9.9259 6.48457 9.11809 9.16583 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 7.2846 7.58835 8.81358 9.44459 5.73693 11.6164 4.91588 7.742 11.975 9.70849 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 7.1589 6.37974 5.08358 5.46695 8.77199 8.81824 6.00564 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 6.19965 7.97049 5.42586 7.1589 5.08358 6.37974 5.46695 8.81824 8.77199 6.00564 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 6.44653 8.75408 5.23036 8.93905 10.5192 7.27181 4.98499 8.1671 12.259 13.8174 numMergedOcc 0
6 mol 152 unq 0 iso 0 dist 5.87555 8.87437 5.49936 8.35555 5.59336 10.9728 8.18329 8.86966 5.7527 14.1528 numMergedOcc 0
7 mol 152 unq 1 iso 0 dist 8.87437 5.87555 5.49936 8.35555 10.9728 5.59336 8.18329 5.7527 8.86966 14.1528 numMergedOcc 0
8 mol 178 unq 0 iso 0 dist 6.69288 6.43573 5.34677 4.92088 10.1489 8.27339 4.43082 8.4173 9.70181 8.78897 numMergedOcc 0
9 mol 178 unq 1 iso 0 dist 6.69288 7.17202 11.7381 4.92088 10.1489 9.79302 4.43082 8.4173 6.55543 8.78897 numMergedOcc 0
10 mol 178 unq 2 iso 0 dist 6.69288 8.81551 14.0703 4.92088 10.1489 8.65097 4.43082 8.4173 10.2965 8.78897 numMergedOcc 0
11 mol 178 unq 3 iso 0 dist 7.17202 6.69288 11.7381 4.92088 9.79302 10.1489 4.43082 6.55543 8.4173 8.78897 numMergedOcc 0
12 mol 178 unq 4 iso 0 dist 7.17202 6.43573 9.89739 4.92088 9.79302 8.27339 4.43082 6.55543 9.70181 8.78897 numMergedOcc 0
13 mol 178 unq 5 iso 0 dist 7.17202 8.81551 5.18005 4.92088 9.79302 8.65097 4.43082 6.55543 10.2965 8.78897 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.87694 9.09754 9.50685 6.85302 8.90184 4.37002 9.6018 9.83935 15.1388 11.5496 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 8.87694 9.09754 9.50685 9.98215 12.8303 4.64235 9.6018 9.83935 15.1388 18.1277 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 5.59424 7.00794 5.76246 7.24199 7.0057 8.51255 10.375 8.63044 14.2991 11.7104 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 6.61986 9.40098 9.54151 8.37597 4.59567 6.77927 4.32714 7.80754 11.7286 10.9543 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 6.61986 9.40098 9.54151 8.37597 4.59567 6.77927 8.95149 8.20295 12.3058 11.5065 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 7.09863 7.22101 4.39704 8.38865 12.9587 11.0628 6.16261 6.40086 9.68793 13.7859 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 7.19638 8.33025 14.9102 7.50201 7.63376 11.056 6.56535 7.48298 14.2794 12.3574 numMergedOcc 0
21 mol 252 unq 1 iso 0 dist 7.19638 8.33025 14.9102 7.50201 7.63376 11.056 4.51829 8.9483 10.8005 11.8392 numMergedOcc 0
22 mol 252 unq 2 iso 0 dist 7.19638 9.2288 11.7918 7.50201 7.63376 5.23748 6.56535 7.48298 15.4631 12.3574 numMergedOcc 0
23 mol 252 unq 3 iso 0 dist 7.19638 9.2288 11.7918 7.50201 7.63376 5.23748 4.51829 8.9483 13.4944 11.8392 numMergedOcc 0
