0 mol 13 unq 0 iso 0 dist 9.64098 12.3497 9.20106 3.68938 6.52528 11.1708 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 9.64098 4.32164 7.76514 3.68938 6.52528 4.93518 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 9.41816 8.66179 8.18794 4.02928 7.6477 8.34136 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.54999 6.66552 7.67459 9.81268 6.57633 9.50501 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 9.28357 7.17313 5.37449 5.4968 9.73179 7.15288 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 6.00684 8.68717 9.8089 5.22146 8.4416 6.21234 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 6.00684 8.68717 9.8089 9.79892 7.79538 7.08619 numMergedOcc 0
7 mol 83 unq 0 iso 0 dist 9.90769 7.97948 7.9309 9.63903 7.93119 7.89284 numMergedOcc 0
8 mol 83 unq 1 iso 0 dist 9.90769 7.97948 7.9309 14.347 5.25361 9.76251 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 5.62903 4.33372 6.39026 4.03471 6.6536 7.12458 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 5.88001 13.5995 8.5614 10.6312 7.95751 9.88447 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 5.88001 13.5995 8.5614 9.58584 5.39002 8.09962 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 6.33118 9.51094 8.95432 3.51425 7.68074 11.7299 numMergedOcc 0
13 mol 158 unq 1 iso 0 dist 6.33118 9.51094 8.95432 11.7855 9.1854 17.16 numMergedOcc 0
14 mol 170 unq 0 iso 0 dist 6.3247 9.311 9.15159 4.63542 8.38932 13.3123 numMergedOcc 0
15 mol 217 unq 0 iso 0 dist 6.10085 7.92402 7.95365 3.64097 7.00456 8.78812 numMergedOcc 0
16 mol 217 unq 1 iso 0 dist 6.10085 7.92402 7.95365 8.43469 8.99484 14.0642 numMergedOcc 0
17 mol 243 unq 0 iso 0 dist 8.82741 11.6124 8.1195 3.98086 8.89434 8.8719 numMergedOcc 0
18 mol 243 unq 1 iso 0 dist 4.88105 11.0067 8.1195 6.95692 8.89434 8.8719 numMergedOcc 0
19 mol 243 unq 2 iso 0 dist 9.44057 16.3085 8.1195 12.5972 8.89434 8.8719 numMergedOcc 0
20 mol 267 unq 0 iso 0 dist 5.96461 4.69584 8.21131 5.77405 5.463 9.10508 numMergedOcc 0
21 mol 267 unq 1 iso 0 dist 5.96461 4.69584 8.21131 8.68243 8.68244 10.0159 numMergedOcc 0
22 mol 267 unq 2 iso 0 dist 5.96461 4.69584 8.21131 9.75651 9.46729 13.2368 numMergedOcc 0
23 mol 267 unq 3 iso 0 dist 7.21009 12.9984 8.21131 11.9524 5.463 9.10508 numMergedOcc 0
24 mol 267 unq 4 iso 0 dist 7.21009 12.9984 8.21131 6.09744 8.68244 10.0159 numMergedOcc 0
25 mol 267 unq 5 iso 0 dist 7.21009 12.9984 8.21131 6.6853 9.46729 13.2368 numMergedOcc 0
26 mol 281 unq 0 iso 0 dist 8.19366 5.39628 6.47753 10.9386 8.90116 12.3104 numMergedOcc 0
27 mol 281 unq 1 iso 0 dist 8.19366 7.203 9.69744 10.9386 8.90116 16.3183 numMergedOcc 0
28 mol 283 unq 0 iso 0 dist 8.57375 5.72409 6.93798 8.21071 5.32876 5.83652 numMergedOcc 0
29 mol 283 unq 1 iso 0 dist 8.57375 5.72409 6.93798 6.36596 7.60296 5.99759 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 5.92999 5.63549 8.44356 3.96707 5.32839 4.53492 numMergedOcc 0
31 mol 287 unq 1 iso 0 dist 4.75392 6.76834 8.44356 6.60353 5.32839 4.53492 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 5.92999 5.63549 8.44356 3.96707 5.32839 4.53492 numMergedOcc 0
33 mol 288 unq 1 iso 0 dist 4.75392 6.76834 8.44356 6.60353 5.32839 4.53492 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 5.92999 5.63549 8.44356 3.96707 5.32839 4.53492 numMergedOcc 0
35 mol 289 unq 1 iso 0 dist 4.75392 6.76834 8.44356 6.60353 5.32839 4.53492 numMergedOcc 0
36 mol 292 unq 0 iso 0 dist 8.17727 7.70951 9.60309 3.98157 7.38515 4.30667 numMergedOcc 0
