0 mol 25 unq 0 iso 0 dist 9.39274 11.5983 7.99919 6.23095 4.77954 6.03987 7.40735 12.201 10.3635 7.685 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 8.16985 11.6369 7.12321 6.7212 7.47371 9.96708 5.00053 9.14817 9.0131 7.321 numMergedOcc 0
2 mol 72 unq 1 iso 0 dist 8.16985 6.12361 6.21799 6.7212 7.47371 9.78528 5.00053 9.14817 6.11922 7.321 numMergedOcc 0
3 mol 72 unq 2 iso 0 dist 7.81344 6.12361 5.03251 6.7212 9.67587 9.78528 5.00053 9.76686 6.11922 7.321 numMergedOcc 0
4 mol 72 unq 3 iso 0 dist 7.49245 5.43672 5.03251 13.3713 9.67587 9.78528 9.57455 9.76686 6.11922 7.321 numMergedOcc 0
5 mol 72 unq 4 iso 0 dist 5.49421 6.12361 7.66093 6.7212 7.07356 9.78528 5.00053 9.437 6.11922 7.321 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 5.30117 5.92158 5.35782 5.70279 5.47563 7.47343 11.8754 12.1809 15.209 7.75343 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 9.58844 7.21973 6.93139 9.77934 4.97996 8.70949 11.1982 10.1252 8.84655 6.89257 numMergedOcc 0
8 mol 130 unq 1 iso 0 dist 9.58844 7.21973 6.93139 9.77934 4.97996 8.70949 6.1956 10.5067 6.76754 8.74308 numMergedOcc 0
9 mol 155 unq 0 iso 0 dist 8.14405 7.92939 8.97626 12.7322 9.16779 7.46303 14.0992 13.5963 6.3437 9.17284 numMergedOcc 0
10 mol 155 unq 1 iso 0 dist 8.14405 7.92939 8.97626 5.68636 4.91785 6.43582 7.441 7.29911 12.8482 9.38946 numMergedOcc 0
11 mol 155 unq 2 iso 0 dist 8.14405 7.92939 8.97626 5.68636 4.91785 6.43582 6.79302 5.36254 8.27726 7.36102 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 9.03126 9.74132 7.06025 12.3456 6.42973 6.69288 11.799 12.6109 10.5783 8.96511 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 6.91906 5.68711 7.46481 11.5105 11.1534 8.85478 5.24956 8.70987 6.67959 7.46831 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 8.51427 5.60111 5.56538 5.47561 6.84862 7.21333 11.3364 11.8745 12.2813 6.82208 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 5.88041 13.1803 8.08349 10.6043 5.13732 6.61986 5.56344 5.73591 10.7113 8.19953 numMergedOcc 0
16 mol 224 unq 1 iso 0 dist 5.31916 9.81806 8.79428 9.73411 7.05804 6.57273 9.9234 10.8888 7.12232 6.87664 numMergedOcc 0
17 mol 224 unq 2 iso 0 dist 5.31916 5.99647 6.8692 9.73411 7.05804 5.78342 9.9234 10.8888 5.3621 6.87664 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 9.2885 5.43184 8.03219 8.57619 4.04513 5.30224 5.4536 8.84648 5.31048 8.37865 numMergedOcc 0
