0 mol 8 unq 0 iso 0 dist 8.73998 16.3437 9.59644 4.11115 7.65219 16.1517 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 5.44478 4.13477 7.44542 7.77531 9.78092 7.57142 numMergedOcc 0
2 mol 104 unq 0 iso 0 dist 8.44593 5.66064 8.44663 8.78204 7.63919 5.87427 numMergedOcc 0
3 mol 123 unq 0 iso 0 dist 7.76707 7.02849 8.56386 6.83201 9.55097 8.59447 numMergedOcc 0
4 mol 123 unq 1 iso 0 dist 7.63425 3.4208 8.56386 5.19741 9.55097 8.59447 numMergedOcc 0
5 mol 132 unq 0 iso 0 dist 9.10144 8.65247 7.16287 6.40933 7.73306 11.926 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 9.89671 12.4418 7.67877 4.61198 7.4963 11.7814 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 9.89671 12.4418 7.67877 15.5394 7.74278 6.58277 numMergedOcc 0
8 mol 133 unq 2 iso 0 dist 9.89671 12.4418 7.67877 16.8959 8.08807 13.7398 numMergedOcc 0
9 mol 133 unq 3 iso 0 dist 4.46578 6.53566 5.9962 8.20979 8.08807 10.218 numMergedOcc 0
10 mol 133 unq 4 iso 0 dist 4.46578 4.77272 8.61448 8.20979 8.08807 9.64947 numMergedOcc 0
11 mol 168 unq 0 iso 0 dist 9.58783 9.46815 9.60268 4.13188 9.95547 8.67578 numMergedOcc 0
12 mol 168 unq 1 iso 0 dist 9.58783 5.35061 8.79954 4.13188 9.95547 5.21399 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 8.98221 10.7102 5.83898 11.9871 4.47148 5.6932 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 8.74666 12.5938 8.32641 5.35183 4.47148 11.1168 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 7.72756 11.8734 8.57123 8.13479 9.38418 13.5306 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 7.72756 11.8734 8.57123 3.76374 8.0795 12.4109 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 4.70107 5.23612 8.04934 6.51558 7.36542 7.98435 numMergedOcc 0
18 mol 239 unq 1 iso 0 dist 4.70107 6.41922 5.9919 6.51558 7.36542 4.75777 numMergedOcc 0
19 mol 247 unq 0 iso 0 dist 6.56182 5.45251 8.21164 12.9918 7.49895 14.3657 numMergedOcc 0
20 mol 247 unq 1 iso 0 dist 6.77886 10.0764 8.21164 9.52974 7.49895 14.3657 numMergedOcc 0
21 mol 250 unq 0 iso 0 dist 5.75551 12.8213 9.80833 7.3959 9.16575 10.7836 numMergedOcc 0
22 mol 254 unq 0 iso 0 dist 9.26382 16.1098 8.76115 5.48779 9.62779 14.5442 numMergedOcc 0
23 mol 254 unq 1 iso 0 dist 9.26382 16.1098 8.76115 13.3145 8.8044 13.4104 numMergedOcc 0
24 mol 254 unq 2 iso 0 dist 9.73281 18.0832 8.76115 8.38548 9.62779 14.5442 numMergedOcc 0
25 mol 254 unq 3 iso 0 dist 9.73281 18.0832 8.76115 13.8572 8.8044 13.4104 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 9.49732 12.8939 8.06908 6.86723 8.06955 8.77225 numMergedOcc 0
27 mol 276 unq 0 iso 0 dist 5.71066 12.7549 9.5388 4.13053 9.15041 15.2084 numMergedOcc 0
28 mol 276 unq 1 iso 0 dist 9.69468 10.5398 9.5388 14.976 9.15041 15.2084 numMergedOcc 0
29 mol 283 unq 0 iso 0 dist 6.89455 10.1296 8.89292 10.9579 8.53155 6.32608 numMergedOcc 0
30 mol 283 unq 1 iso 0 dist 9.82337 10.1296 8.43009 15.3462 8.92124 9.5249 numMergedOcc 0
31 mol 283 unq 2 iso 0 dist 8.07626 9.38191 8.89292 12.7444 8.53155 6.32608 numMergedOcc 0
32 mol 283 unq 3 iso 0 dist 6.3448 9.38191 8.43009 11.5206 8.92124 9.5249 numMergedOcc 0
33 mol 293 unq 0 iso 0 dist 8.27274 4.35498 6.83404 11.1018 9.15753 6.89397 numMergedOcc 0
