0 mol 7 unq 0 iso 0 dist 9.32945 6.22805 4.57188 17.0748 9.67498 13.9815 5.99355 10.2615 5.72491 19.6283 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 5.86243 7.57586 5.39129 9.83024 7.55357 11.7939 7.40179 10.115 7.57959 13.4967 numMergedOcc 0
2 mol 38 unq 1 iso 0 dist 5.86243 7.57586 5.39129 9.83024 7.55357 11.7939 8.4072 8.10697 7.05737 9.36454 numMergedOcc 0
3 mol 38 unq 2 iso 0 dist 7.55357 8.86547 5.29179 9.83024 5.86243 10.3065 9.36454 8.10697 7.54179 8.4072 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 7.19203 7.14865 9.51008 9.29911 8.8095 13.5752 7.12794 13.4981 7.9814 12.8755 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.60363 6.30194 8.0624 16.6115 9.27331 14.6804 14.8714 14.8476 8.73253 18.3717 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 9.42175 5.81552 9.60908 10.5302 7.02969 11.0565 7.79791 16.7055 8.729 16.5544 numMergedOcc 0
7 mol 112 unq 1 iso 0 dist 9.42175 5.81552 9.60908 9.00066 7.02265 11.6825 7.79791 16.7055 8.729 15.8165 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 6.43585 6.86297 5.43796 11.2035 9.45817 11.0743 8.88762 10.5074 6.85302 10.0516 numMergedOcc 0
9 mol 186 unq 1 iso 0 dist 6.43585 6.86297 5.43796 11.2035 9.45817 11.0743 7.55335 9.39664 9.98215 5.57831 numMergedOcc 0
10 mol 223 unq 0 iso 0 dist 9.14789 9.94212 19.0281 9.20811 8.78739 17.4992 6.33419 15.0631 6.13306 11.6761 numMergedOcc 0
11 mol 223 unq 1 iso 0 dist 7.80764 9.94212 4.67731 7.75335 6.03408 9.52613 6.33419 6.82737 6.13306 7.79881 numMergedOcc 0
12 mol 224 unq 0 iso 0 dist 6.6537 7.04127 6.46679 11.1434 7.47122 13.3678 6.23345 11.4439 8.37597 15.7052 numMergedOcc 0
13 mol 224 unq 1 iso 0 dist 9.08719 7.04127 7.85135 11.1019 5.97988 11.2702 6.23345 10.3724 8.37597 9.23718 numMergedOcc 0
14 mol 230 unq 0 iso 0 dist 6.88683 8.33847 6.87235 5.96129 7.43793 9.12305 5.02022 8.02209 6.41286 9.81615 numMergedOcc 0
15 mol 230 unq 1 iso 0 dist 7.43793 9.12305 6.87235 5.96129 6.88683 8.33847 9.81615 8.02209 6.41286 5.02022 numMergedOcc 0
16 mol 232 unq 0 iso 0 dist 5.92175 7.47238 4.90814 4.22519 7.76477 11.026 6.4535 6.29118 7.83711 7.79571 numMergedOcc 0
17 mol 232 unq 1 iso 0 dist 5.92175 7.47238 4.90814 9.1904 6.82688 10.8093 6.4535 6.29118 7.83711 5.68442 numMergedOcc 0
18 mol 261 unq 0 iso 0 dist 9.70222 7.6414 11.544 6.43452 9.71882 12.8798 13.4429 19.6488 8.60026 19.5406 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 9.58577 7.72749 10.2159 4.67106 9.56469 10.0438 6.94588 15.2536 7.71657 9.55763 numMergedOcc 0
20 mol 285 unq 0 iso 0 dist 8.08495 7.66291 8.39941 7.91838 9.3482 13.5103 11.8763 12.5798 5.31728 16.6873 numMergedOcc 0
