0 mol 11 unq 0 iso 0 dist 4.61088 5.96346 6.86684 6.84216 9.68636 6.76736 10.7734 13.8584 7.98326 9.81983 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 5.54419 8.70827 5.59311 8.23075 6.7846 12.2271 5.11617 8.4051 12.8389 7.85986 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 5.54419 8.70827 5.59311 4.7841 8.03955 12.6431 4.50066 9.83002 11.8282 7.03544 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 5.54419 8.70827 5.59311 4.7841 8.03955 12.6431 5.11617 8.4051 12.8389 4.30252 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 5.54419 6.73939 12.176 8.23075 6.7846 12.2839 5.11617 8.4051 6.72323 7.85986 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 5.54419 6.73939 12.176 4.7841 8.03955 6.22954 4.50066 9.83002 4.2121 7.03544 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 5.54419 6.73939 12.176 4.7841 8.03955 6.22954 5.11617 8.4051 6.72323 4.30252 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 6.86465 9.92355 5.78774 9.23438 4.59417 8.76454 10.2049 8.80614 10.2007 6.41008 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 6.35756 7.68678 5.78774 7.17488 4.59417 8.76454 5.49591 8.80614 10.2007 6.41008 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 7.92856 8.29813 11.6496 14.1056 17.0262 20.0157 9.90672 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 5.08437 6.65501 4.4057 7.92856 8.29813 11.6496 14.3413 13.8815 16.102 7.55367 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 6.48948 6.65501 7.42446 7.92856 13.2057 11.6496 14.1056 18.2936 20.0157 9.90672 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 6.48948 6.65501 7.42446 7.92856 13.2057 11.6496 14.3413 17.8091 16.102 7.55367 numMergedOcc 0
13 mol 98 unq 4 iso 0 dist 6.10456 6.65501 9.67482 7.92856 12.7473 11.6496 14.1056 17.2253 20.0157 9.90672 numMergedOcc 0
14 mol 98 unq 5 iso 0 dist 6.10456 6.65501 9.67482 7.92856 12.7473 11.6496 14.3413 19.9118 16.102 7.55367 numMergedOcc 0
15 mol 102 unq 0 iso 0 dist 7.36792 8.31932 7.42011 5.54256 3.48119 7.28191 4.48396 9.24642 8.88394 6.07633 numMergedOcc 0
16 mol 113 unq 0 iso 0 dist 5.86073 8.8822 10.1816 7.02367 5.37655 5.40648 7.27193 11.9334 6.6317 9.62952 numMergedOcc 0
17 mol 113 unq 1 iso 0 dist 5.86073 9.66219 8.42718 7.02367 5.37655 3.52111 7.27193 11.9334 10.0094 9.62952 numMergedOcc 0
18 mol 130 unq 0 iso 0 dist 9.28393 7.96646 6.73735 5.92733 6.00473 3.88766 7.11959 13.5511 10.6254 8.00013 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 7.26832 5.44002 10.3603 7.13783 13.3822 4.76454 9.55992 13.6297 10.6839 7.75318 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 8.02137 7.75885 12.7604 6.23183 8.20841 9.36584 7.67029 12.6228 10.7298 5.17607 numMergedOcc 0
21 mol 206 unq 1 iso 0 dist 7.7366 6.16414 6.45859 4.51255 7.83734 9.36584 4.62682 11.6096 10.7298 5.17607 numMergedOcc 0
22 mol 206 unq 2 iso 0 dist 7.7366 7.33701 4.40897 4.51255 7.83734 8.97305 4.62682 11.6096 10.985 5.17607 numMergedOcc 0
23 mol 206 unq 3 iso 0 dist 7.7366 8.0871 7.62219 4.51255 7.83734 8.90838 4.62682 11.6096 9.9584 5.17607 numMergedOcc 0
24 mol 206 unq 4 iso 0 dist 9.774 7.75885 6.45859 6.23183 7.83734 9.36584 7.67029 11.6096 10.7298 5.17607 numMergedOcc 0
25 mol 232 unq 0 iso 0 dist 8.27212 9.05071 8.80479 8.25985 4.04428 12.159 4.9377 9.40808 9.8664 9.78273 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 6.97229 7.6595 6.7919 5.4557 4.02333 7.26991 6.93678 10.935 11.1811 7.08328 numMergedOcc 0
