0 mol 9 unq 0 iso 0 dist 7.84963 13.0985 8.59513 13.5235 13.4295 8.48677 9.93406 9.77636 6.17866 6.55811 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 7.84963 13.0985 8.59513 13.5235 13.4295 8.48677 14.9025 12.2545 4.41171 7.36018 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 9.07476 9.36527 9.81983 14.3284 10.7048 6.35398 15.7148 14.2498 7.0964 4.30695 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 7.79911 10.5851 6.93597 15.9016 9.76111 9.01567 12.3119 10.0586 7.88693 7.33768 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 7.79911 10.5851 6.93597 15.9016 9.76111 9.01567 16.4301 10.716 6.16544 7.29868 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 8.6586 12.1061 7.85986 9.54519 6.7846 8.4051 6.53276 7.8619 14.1082 8.23446 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 8.6586 12.1061 7.85986 9.54519 6.7846 8.4051 6.81998 11.0098 9.62033 8.75662 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 8.6586 12.1061 7.85986 18.501 13.7992 7.29868 16.8563 12.1223 6.16544 9.01567 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 8.6586 12.1061 7.85986 18.501 13.7992 7.29868 21.4905 17.9863 10.2653 7.33768 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 8.6586 12.1061 7.85986 12.511 13.2846 8.60554 16.072 19.3469 14.1496 8.44664 numMergedOcc 0
10 mol 24 unq 7 iso 0 dist 8.6586 12.1061 7.85986 12.511 13.2846 8.60554 6.81998 11.0098 9.62033 9.44691 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 5.48163 4.00884 6.89071 9.28057 12.2908 5.9465 9.58045 14.7203 9.38827 8.18107 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 5.48163 4.00884 6.89071 10.3713 13.6054 6.97962 9.58045 14.7203 9.38827 9.8859 numMergedOcc 0
13 mol 92 unq 2 iso 0 dist 7.7399 4.1125 6.89071 8.4545 12.2908 5.9465 12.49 14.7203 9.38827 8.18107 numMergedOcc 0
14 mol 92 unq 3 iso 0 dist 7.7399 4.1125 6.89071 7.01176 13.6054 6.97962 12.49 14.7203 9.38827 9.8859 numMergedOcc 0
15 mol 109 unq 0 iso 0 dist 7.39028 9.74143 5.54226 8.35636 4.56372 7.02927 9.51381 10.3411 10.6137 6.60933 numMergedOcc 0
16 mol 113 unq 0 iso 0 dist 9.86767 9.01097 5.35711 8.89481 13.0914 9.66219 11.2266 9.34113 4.09459 8.8822 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 7.93106 9.8725 8.98175 14.1931 10.3933 6.28565 11.3544 11.6264 7.91034 7.58957 numMergedOcc 0
18 mol 129 unq 1 iso 0 dist 7.04904 7.03404 8.98175 6.38163 10.3933 6.28565 4.92611 11.6264 7.91034 7.58957 numMergedOcc 0
19 mol 188 unq 0 iso 0 dist 8.85223 5.15888 8.34477 11.4309 8.02684 7.14503 12.1341 8.4784 9.01338 8.10214 numMergedOcc 0
20 mol 188 unq 1 iso 0 dist 8.85223 12.1341 8.4784 11.4309 8.02684 8.10214 5.15888 8.34477 9.01338 7.14503 numMergedOcc 0
21 mol 235 unq 0 iso 0 dist 9.82099 4.32578 7.26232 10.127 10.28 6.21292 13.1619 13.8663 10.2834 6.95126 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 9.82713 5.15747 8.09181 6.55855 4.60007 6.39866 6.70266 13.9254 10.7637 9.45514 numMergedOcc 0
