0 mol 26 unq 0 iso 0 dist 7.65918 4.4349 8.63439 4.9737 5.54542 7.90324 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 8.85083 15.7124 8.35776 19.6596 10.8132 7.98414 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 8.32519 6.7153 8.1717 9.51503 4.32751 7.88689 numMergedOcc 0
3 mol 96 unq 0 iso 0 dist 6.93203 5.37184 7.40983 5.19438 6.53944 9.46918 numMergedOcc 0
4 mol 96 unq 1 iso 0 dist 6.93203 5.37184 7.40983 11.4327 7.86339 7.64681 numMergedOcc 0
5 mol 96 unq 2 iso 0 dist 8.68256 4.88554 7.40983 11.6393 6.53944 9.46918 numMergedOcc 0
6 mol 96 unq 3 iso 0 dist 8.68256 4.88554 7.40983 10.2191 7.86339 7.64681 numMergedOcc 0
7 mol 107 unq 0 iso 0 dist 7.09988 10.2302 4.99934 14.2999 8.49625 8.92347 numMergedOcc 0
8 mol 107 unq 1 iso 0 dist 7.73898 7.80415 4.99934 12.634 8.49625 8.92347 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 6.36631 12.6498 6.38269 10.8474 6.29259 5.7085 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 6.24308 12.6498 7.11196 10.8474 7.08122 5.7085 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 6.90456 4.80863 9.48604 7.35647 3.90693 9.73325 numMergedOcc 0
12 mol 130 unq 1 iso 0 dist 8.14525 8.88035 9.48604 4.88366 3.90693 9.73325 numMergedOcc 0
13 mol 193 unq 0 iso 0 dist 8.29723 15.5881 9.28442 13.9901 6.18551 9.58736 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 9.32969 10.256 9.3032 11.2921 3.7326 7.27978 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 8.81424 4.20749 9.02494 10.4506 12.192 6.27438 numMergedOcc 0
16 mol 225 unq 1 iso 0 dist 9.60949 4.20749 8.83641 10.4506 11.8222 6.27438 numMergedOcc 0
17 mol 257 unq 0 iso 0 dist 6.73777 12.73 9.12546 10.6679 3.96862 9.5789 numMergedOcc 0
18 mol 257 unq 1 iso 0 dist 6.73777 12.1363 8.71617 10.6679 3.96862 9.34175 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 8.82533 13.622 8.95095 15.2312 7.26991 9.43704 numMergedOcc 0
20 mol 258 unq 1 iso 0 dist 8.82533 13.622 8.95095 20.5293 14.0247 7.41653 numMergedOcc 0
