0 mol 11 unq 0 iso 0 dist 5.56531 4.48789 5.67087 6.49542 6.03873 7.56871 4.80143 8.01262 7.27724 4.30695 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 6.16745 11.4785 7.78587 13.5801 7.98468 7.10439 16.3165 11.3218 7.41074 9.24757 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 6.56288 12.0467 5.61151 10.6441 5.22259 6.05495 14.9023 13.3547 15.8792 9.82915 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 5.97559 12.0467 6.54289 10.6441 7.66499 6.05495 14.9023 15.6221 15.8792 9.82915 numMergedOcc 0
4 mol 130 unq 0 iso 0 dist 7.50304 11.3038 7.92317 5.65876 3.90693 6.90634 11.4341 10.1588 6.01663 9.72053 numMergedOcc 0
5 mol 130 unq 1 iso 0 dist 7.50304 11.3038 7.92317 5.65876 3.90693 6.90634 7.02907 11.308 12.8559 7.7949 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 8.14978 13.2439 6.50336 10.6158 3.80087 4.25566 13.2193 10.8338 10.5489 8.10291 numMergedOcc 0
7 mol 181 unq 0 iso 0 dist 7.24832 4.56814 6.91878 9.0234 3.63671 7.05653 10.9813 8.29467 6.7991 5.94469 numMergedOcc 0
8 mol 238 unq 0 iso 0 dist 9.31268 9.28896 8.71877 6.62283 13.8952 8.90076 10.2134 11.8376 5.11565 7.57812 numMergedOcc 0
9 mol 238 unq 1 iso 0 dist 9.31268 9.28896 8.71877 6.62283 13.8952 8.90076 5.88384 9.76893 11.0401 9.24557 numMergedOcc 0
10 mol 238 unq 2 iso 0 dist 9.31268 9.28896 8.71877 8.60978 12.856 6.62002 10.2134 11.8376 5.11565 8.69104 numMergedOcc 0
11 mol 264 unq 0 iso 0 dist 9.05879 10.9568 8.56867 15.9117 13.0664 7.34094 14.6422 15.2551 9.67998 5.93616 numMergedOcc 0
12 mol 264 unq 1 iso 0 dist 6.67548 6.08436 8.56867 12.7235 13.0664 7.34094 15.6171 15.2551 9.67998 5.93616 numMergedOcc 0
13 mol 264 unq 2 iso 0 dist 5.57579 6.08436 6.29872 12.7235 10.4666 7.34094 15.6171 13.3874 9.67998 5.93616 numMergedOcc 0
14 mol 287 unq 0 iso 0 dist 9.14217 8.73374 5.50067 13.2024 5.39801 5.59555 10.879 10.1296 4.62998 8.91712 numMergedOcc 0
15 mol 287 unq 1 iso 0 dist 9.14217 8.73374 5.50067 13.2024 5.39801 5.59555 7.17634 5.30118 7.23534 9.65934 numMergedOcc 0
16 mol 288 unq 0 iso 0 dist 9.14217 8.73374 5.50067 13.2024 5.39801 5.59555 10.879 10.1296 4.62998 8.91712 numMergedOcc 0
17 mol 288 unq 1 iso 0 dist 9.14217 8.73374 5.50067 13.2024 5.39801 5.59555 7.17634 5.30118 7.23534 9.65934 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 9.14217 8.73374 5.50067 13.2024 5.39801 5.59555 10.879 10.1296 4.62998 8.91712 numMergedOcc 0
19 mol 289 unq 1 iso 0 dist 9.14217 8.73374 5.50067 13.2024 5.39801 5.59555 7.17634 5.30118 7.23534 9.65934 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 9.15937 6.33111 3.93401 11.2841 4.30125 5.7131 6.39438 9.82511 5.98906 9.88863 numMergedOcc 0
