0 mol 27 unq 0 iso 0 dist 7.96312 5.50074 7.67129 15.4799 7.60283 14.1714 numMergedOcc 0
1 mol 27 unq 0 iso 1 dist 7.67129 5.50074 7.96312 14.1714 7.60283 15.4799 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 6.07108 6.9953 5.63802 12.2982 9.0008 13.1761 numMergedOcc 0
3 mol 67 unq 0 iso 1 dist 5.63802 6.9953 6.07108 13.1761 9.0008 12.2982 numMergedOcc 0
4 mol 67 unq 1 iso 0 dist 6.07108 6.9953 5.63802 8.55107 9.77887 10.6102 numMergedOcc 0
5 mol 67 unq 1 iso 1 dist 5.63802 6.9953 6.07108 10.6102 9.77887 8.55107 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 9.22889 11.776 6.64915 6.26867 5.9249 5.79235 numMergedOcc 0
7 mol 79 unq 0 iso 1 dist 6.64915 11.776 9.22889 5.79235 5.9249 6.26867 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 9.18097 16.4809 8.83135 12.8729 6.05495 3.97167 numMergedOcc 0
9 mol 85 unq 0 iso 1 dist 8.83135 16.4809 9.18097 3.97167 6.05495 12.8729 numMergedOcc 0
10 mol 116 unq 0 iso 0 dist 8.03113 13.3886 9.2638 8.2258 7.35992 10.3223 numMergedOcc 0
11 mol 116 unq 0 iso 1 dist 9.2638 13.3886 8.03113 10.3223 7.35992 8.2258 numMergedOcc 0
12 mol 116 unq 1 iso 0 dist 8.03113 13.3886 9.2638 11.1305 6.49383 12.8624 numMergedOcc 0
13 mol 116 unq 1 iso 1 dist 9.2638 13.3886 8.03113 12.8624 6.49383 11.1305 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 8.09776 7.18487 6.57575 8.91682 9.3402 11.7133 numMergedOcc 0
15 mol 194 unq 0 iso 1 dist 6.57575 7.18487 8.09776 11.7133 9.3402 8.91682 numMergedOcc 0
16 mol 194 unq 1 iso 0 dist 8.09776 11.0897 9.30761 8.91682 9.3402 4.90091 numMergedOcc 0
17 mol 194 unq 1 iso 1 dist 9.30761 11.0897 8.09776 4.90091 9.3402 8.91682 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 6.57575 10.7204 9.30761 11.7133 9.3402 4.90091 numMergedOcc 0
19 mol 194 unq 1 iso 1 dist 9.30761 10.7204 6.57575 4.90091 9.3402 11.7133 numMergedOcc 0
20 mol 253 unq 0 iso 0 dist 9.29788 5.50591 9.50983 15.6651 9.58354 14.0411 numMergedOcc 0
21 mol 253 unq 0 iso 1 dist 9.50983 5.50591 9.29788 14.0411 9.58354 15.6651 numMergedOcc 0
22 mol 254 unq 0 iso 0 dist 7.28781 6.52591 7.00841 6.69832 8.94909 9.65183 numMergedOcc 0
23 mol 254 unq 0 iso 1 dist 7.00841 6.52591 7.28781 9.65183 8.94909 6.69832 numMergedOcc 0
24 mol 256 unq 0 iso 0 dist 9.65136 9.94343 7.54955 5.34142 7.48269 8.04009 numMergedOcc 0
25 mol 256 unq 0 iso 1 dist 7.54955 9.94343 9.65136 8.04009 7.48269 5.34142 numMergedOcc 0
26 mol 280 unq 0 iso 0 dist 9.38952 12.9392 7.42529 9.6632 5.80452 5.97333 numMergedOcc 0
27 mol 280 unq 0 iso 1 dist 7.42529 12.9392 9.38952 5.97333 5.80452 9.6632 numMergedOcc 0
28 mol 280 unq 1 iso 0 dist 9.38952 12.9392 7.42529 12.7222 7.82157 11.9982 numMergedOcc 0
29 mol 280 unq 1 iso 1 dist 7.42529 12.9392 9.38952 11.9982 7.82157 12.7222 numMergedOcc 0
