0 mol 56 unq 0 iso 0 dist 5.67098 4.92918 9.11019 3.97946 5.42296 6.24599 numMergedOcc 0
1 mol 56 unq 1 iso 0 dist 8.58218 3.98878 9.11019 7.82134 5.42296 6.24599 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 7.09641 4.73715 9.15766 3.60431 9.40835 4.91335 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 8.39101 4.16711 7.58673 7.43211 6.92381 9.98038 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 6.57826 9.76087 7.58673 4.81015 6.92381 9.98038 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 5.44714 10.6782 9.20053 8.67805 5.45882 14.5375 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 5.44714 10.6782 9.20053 6.03962 4.57487 13.2977 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 7.25217 11.7727 9.9778 5.21212 8.61909 13.1839 numMergedOcc 0
8 mol 114 unq 1 iso 0 dist 7.25217 6.76815 9.36502 5.21212 8.61909 10.9333 numMergedOcc 0
9 mol 175 unq 0 iso 0 dist 9.00025 4.95003 7.92974 3.47137 7.6077 7.09629 numMergedOcc 0
10 mol 197 unq 0 iso 0 dist 8.32685 13.1844 8.4273 11.8425 9.6071 7.35883 numMergedOcc 0
11 mol 197 unq 1 iso 0 dist 8.32685 13.1844 8.4273 12.2163 9.77656 14.0686 numMergedOcc 0
12 mol 197 unq 2 iso 0 dist 6.74777 14.3934 8.4273 10.0045 9.77656 14.0686 numMergedOcc 0
13 mol 197 unq 3 iso 0 dist 6.74777 14.3934 8.4273 13.1467 9.6071 7.35883 numMergedOcc 0
14 mol 197 unq 4 iso 0 dist 9.62514 17.4892 8.4273 8.82321 9.77656 14.0686 numMergedOcc 0
15 mol 197 unq 5 iso 0 dist 9.62514 17.4892 8.4273 15.1287 9.6071 7.35883 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 9.42374 12.1148 6.35305 5.8523 4.51124 6.42785 numMergedOcc 0
17 mol 204 unq 1 iso 0 dist 9.42374 12.1148 6.35305 10.6525 8.41517 10.9716 numMergedOcc 0
18 mol 204 unq 2 iso 0 dist 9.42374 11.6178 9.23348 5.8523 4.51124 7.66776 numMergedOcc 0
19 mol 204 unq 3 iso 0 dist 9.42374 11.6178 9.23348 10.6525 8.41517 8.03926 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 7.79085 11.2066 9.94653 13.7353 8.49913 14.705 numMergedOcc 0
21 mol 232 unq 1 iso 0 dist 7.79085 6.71409 7.97572 13.7353 8.49913 13.3914 numMergedOcc 0
22 mol 232 unq 2 iso 0 dist 6.48753 12.4884 9.94653 10.1969 8.49913 14.705 numMergedOcc 0
23 mol 232 unq 3 iso 0 dist 6.48753 8.37849 7.97572 10.1969 8.49913 13.3914 numMergedOcc 0
24 mol 232 unq 4 iso 0 dist 7.83802 15.1401 9.94653 6.46773 8.49913 14.705 numMergedOcc 0
25 mol 232 unq 5 iso 0 dist 7.83802 11.9221 7.97572 6.46773 8.49913 13.3914 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 5.18952 8.96217 9.84931 9.98527 5.50017 10.7337 numMergedOcc 0
27 mol 239 unq 1 iso 0 dist 5.648 8.96217 5.58605 9.98527 9.99181 10.7337 numMergedOcc 0
28 mol 294 unq 0 iso 0 dist 7.12793 9.26814 9.13209 4.93923 9.33755 14.0481 numMergedOcc 0
29 mol 294 unq 1 iso 0 dist 7.12793 9.26814 9.13209 10.0659 6.25334 12.1648 numMergedOcc 0
30 mol 294 unq 2 iso 0 dist 6.21208 5.61757 9.13209 10.6017 9.33755 14.0481 numMergedOcc 0
31 mol 294 unq 3 iso 0 dist 6.21208 5.61757 9.13209 7.2873 6.25334 12.1648 numMergedOcc 0
