0 mol 17 unq 0 iso 0 dist 7.95007 7.18716 13.7445 4.20667 6.3896 11.2032 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.54999 9.72036 3.83842 12.4431 9.76585 13.5968 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.54999 9.3718 9.44478 12.4431 9.76585 14.8084 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 5.99879 8.6777 11.5541 9.96747 9.51017 16.199 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 5.99879 8.6777 11.5541 4.23367 8.47212 11.0583 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 9.42064 9.75833 10.1277 5.34511 8.75165 12.5499 numMergedOcc 0
6 mol 116 unq 0 iso 0 dist 7.09179 6.98134 12.5145 10.0549 9.62357 14.6922 numMergedOcc 0
7 mol 116 unq 1 iso 0 dist 9.31875 7.65919 8.63935 16.0497 9.62357 16.1417 numMergedOcc 0
8 mol 116 unq 2 iso 0 dist 9.31875 8.55413 12.5145 16.0497 9.62357 14.6922 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 8.61918 6.01995 4.63862 7.49664 6.9268 4.82356 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 8.61918 6.01995 4.63862 14.1334 8.19166 8.83476 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 9.89646 8.94352 10.0388 10.7499 5.47265 8.76449 numMergedOcc 0
12 mol 157 unq 0 iso 0 dist 9.46764 8.97914 7.444 13.6517 8.78412 15.428 numMergedOcc 0
13 mol 210 unq 0 iso 0 dist 5.89811 8.20259 5.81094 4.04112 5.70065 9.49242 numMergedOcc 0
14 mol 233 unq 0 iso 0 dist 7.91999 8.7499 5.38659 13.0673 7.21531 11.7456 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 6.77021 4.98907 5.05766 9.56613 8.53084 11.7986 numMergedOcc 0
16 mol 258 unq 1 iso 0 dist 6.77021 4.98907 5.05766 3.89286 5.9223 6.61322 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 8.02607 5.28746 3.94797 8.13064 9.80006 7.93375 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 8.08235 9.89615 4.0143 4.78661 7.98183 11.2307 numMergedOcc 0
19 mol 274 unq 1 iso 0 dist 7.1255 5.77565 4.0143 12.4201 7.98183 11.2307 numMergedOcc 0
20 mol 274 unq 2 iso 0 dist 7.1255 6.32853 3.88948 12.4201 7.98183 10.5289 numMergedOcc 0
21 mol 280 unq 0 iso 0 dist 7.03817 8.6212 6.10543 4.79056 6.16854 9.22665 numMergedOcc 0
22 mol 283 unq 0 iso 0 dist 8.57375 7.17276 7.97597 5.70683 5.90728 8.85163 numMergedOcc 0
23 mol 294 unq 0 iso 0 dist 5.25409 7.58948 3.33848 7.07706 9.4943 12.1408 numMergedOcc 0
