0 mol 11 unq 0 iso 0 dist 5.87616 4.37231 5.7435 12.1543 11.1513 9.53002 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.07937 14.9314 6.88695 10.2286 6.66387 9.16962 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 6.42206 4.76147 6.88695 9.08976 6.66387 9.16962 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 9.66602 5.93227 6.88695 13.0219 6.66387 9.16962 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 8.70164 7.85565 7.14232 11.1418 5.9818 7.00648 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 5.35101 7.71984 6.36193 11.3775 6.05206 9.64665 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 5.35101 4.67517 4.88613 12.3446 9.80755 8.89374 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 8.68381 12.5529 6.36193 13.8916 6.05206 9.64665 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 8.68381 8.47822 4.88613 13.3753 9.80755 8.89374 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 8.21127 6.86762 5.02717 11.0433 9.81097 8.66155 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 7.99121 6.8104 4.98864 12.7277 5.46352 6.99777 numMergedOcc 0
11 mol 115 unq 2 iso 0 dist 7.99121 6.8104 4.98864 11.1013 10.1017 9.14376 numMergedOcc 0
12 mol 115 unq 3 iso 0 dist 6.30982 6.8104 7.95871 12.7277 10.3995 6.99777 numMergedOcc 0
13 mol 115 unq 4 iso 0 dist 6.30982 6.8104 7.95871 11.1013 9.81323 9.14376 numMergedOcc 0
14 mol 130 unq 0 iso 0 dist 8.87505 8.50937 5.49877 11.327 6.53156 6.89257 numMergedOcc 0
15 mol 130 unq 1 iso 0 dist 8.87505 8.50937 5.49877 9.02079 4.72188 8.74308 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 5.08796 10.9813 9.84952 15.0054 11.14 7.98142 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 5.08796 10.9813 9.84952 14.1437 10.9006 7.37327 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 7.38022 6.75711 8.5119 12.3097 9.20149 7.18041 numMergedOcc 0
19 mol 218 unq 1 iso 0 dist 7.38022 6.75711 8.5119 12.1616 11.711 7.17547 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 9.86936 10.0276 7.16386 10.3239 3.90017 7.61951 numMergedOcc 0
21 mol 235 unq 0 iso 0 dist 9.61454 9.77128 7.08539 9.78353 4.28284 9.58736 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 9.61428 5.77573 9.13537 9.02302 6.16476 5.38637 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 6.83706 9.03495 6.42725 5.68415 7.53102 6.77938 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 6.83706 9.03495 6.42725 9.6484 6.58569 7.76676 numMergedOcc 0
25 mol 265 unq 0 iso 0 dist 8.09021 4.75685 9.772 7.74463 5.55314 6.34034 numMergedOcc 0
26 mol 265 unq 1 iso 0 dist 6.98451 11.5105 9.772 11.0134 5.55314 6.34034 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 6.86805 4.97892 8.59986 6.41474 10.0609 9.02188 numMergedOcc 0
