0 mol 12 unq 0 iso 0 dist 5.9021 6.6051 4.86727 13.5603 14.0611 9.52857 17.8114 15.9409 11.7488 9.90835 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 8.98466 6.6051 10.763 13.5603 15.4089 9.52857 17.8114 16.8901 11.7488 9.90835 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 7.41952 8.64686 9.57704 8.69896 13.0659 5.33546 12.0233 12.3799 4.0291 7.43127 numMergedOcc 0
3 mol 105 unq 0 iso 0 dist 8.80388 6.11833 5.89806 8.65154 14.0385 8.40598 9.9108 9.55731 4.59356 7.77089 numMergedOcc 0
4 mol 105 unq 1 iso 0 dist 8.8689 7.12201 5.89806 11.2367 14.0385 8.40598 10.6823 9.55731 4.59356 7.77089 numMergedOcc 0
5 mol 105 unq 2 iso 0 dist 7.28156 6.11833 6.96209 8.65154 13.2285 8.40598 9.9108 11.1365 4.59356 7.77089 numMergedOcc 0
6 mol 105 unq 3 iso 0 dist 9.18139 7.12201 6.96209 11.2367 13.2285 8.40598 10.6823 11.1365 4.59356 7.77089 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 7.07421 7.6453 5.06265 8.73165 9.70268 9.7113 8.85652 4.79473 6.31483 6.34626 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 6.47689 9.40718 5.15002 14.1039 10.9743 9.2933 17.7213 15.0124 15.7604 8.12266 numMergedOcc 0
9 mol 181 unq 1 iso 0 dist 6.47689 9.40718 5.15002 14.1039 10.9743 9.2933 11.1521 6.42494 9.35605 9.43306 numMergedOcc 0
10 mol 181 unq 2 iso 0 dist 6.47689 9.40718 5.15002 14.1039 10.9743 9.2933 12.519 6.32638 5.66304 8.59681 numMergedOcc 0
11 mol 181 unq 3 iso 0 dist 6.47689 9.40718 5.15002 5.39949 6.66608 8.77781 8.39573 5.71744 9.76508 5.99437 numMergedOcc 0
12 mol 181 unq 4 iso 0 dist 6.47689 9.40718 5.15002 5.39949 6.66608 8.77781 11.1521 6.42494 9.35605 8.4848 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 7.30965 6.2016 5.21255 13.2917 12.7509 8.14859 13.7147 8.93457 8.06606 9.40971 numMergedOcc 0
14 mol 192 unq 1 iso 0 dist 7.30965 6.2016 5.21255 10.3343 9.99783 5.62421 13.7147 8.93457 8.06606 9.8428 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 7.00683 9.52029 8.61406 16.9386 15.0746 7.59757 22.4373 17.6681 14.13 9.48625 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 7.35148 6.39087 11.4142 5.45485 12.2602 5.75839 8.63649 10.6592 4.4227 9.23863 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 7.47122 7.03925 4.49347 5.93235 6.48885 6.84722 8.57781 3.56689 4.67513 5.05368 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 7.6402 7.74348 13.5224 8.52618 13.7846 5.91739 9.14031 12.4469 4.58625 6.15635 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 6.23539 6.66936 5.95045 5.41599 5.92532 9.35976 11.2458 13.3706 13.1828 9.26157 numMergedOcc 0
