0 mol 25 unq 0 iso 0 dist 9.01548 7.52933 15.1255 4.70708 6.63839 11.598 9.49421 5.38592 16.0628 8.53931 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 9.01548 6.55597 13.4321 4.70708 6.63839 11.1095 9.49421 5.38592 12.1732 8.53931 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 9.01548 9.71956 8.84447 4.70708 6.63839 11.6083 9.49421 5.38592 8.99147 8.53931 numMergedOcc 0
3 mol 25 unq 3 iso 0 dist 9.01548 7.07751 9.66912 4.70708 6.63839 10.1706 9.49421 5.38592 9.54872 8.53931 numMergedOcc 0
4 mol 25 unq 4 iso 0 dist 9.01548 8.23761 13.1117 4.70708 6.63839 11.6932 9.49421 5.38592 14.6175 8.53931 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 6.7117 5.10496 3.94967 8.70415 6.0129 6.61111 9.81956 3.92737 6.70343 4.44979 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 4.47349 7.54889 3.92737 10.0962 6.0129 4.44979 5.2571 3.94967 6.70343 6.61111 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 4.47349 5.2571 3.94967 10.0962 6.0129 6.61111 7.54889 3.92737 6.70343 4.44979 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 5.65185 7.78931 3.92737 11.2452 6.0129 4.44979 8.7497 3.94967 6.70343 6.61111 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 5.65185 8.7497 3.94967 11.2452 6.0129 6.61111 7.78931 3.92737 6.70343 4.44979 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 6.23142 9.33094 6.93712 5.3585 8.55616 7.43401 11.0808 11.5269 5.83782 6.44575 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 9.94764 9.1998 11.5269 6.74887 8.55616 6.44575 8.69531 6.93712 5.83782 7.43401 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 9.94764 8.69531 6.93712 6.74887 8.55616 7.43401 9.1998 11.5269 5.83782 6.44575 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 7.78652 5.40637 10.0079 6.01455 6.46089 10.55 7.36975 12.207 10.1474 7.05845 numMergedOcc 0
14 mol 159 unq 0 iso 0 dist 9.17787 9.36259 7.91903 6.49376 6.72852 12.0832 13.15 5.72663 12.4867 8.88492 numMergedOcc 0
15 mol 159 unq 1 iso 0 dist 8.4858 9.36259 9.65034 6.49376 8.52082 12.0832 13.15 13.0629 12.4867 8.88492 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 9.67741 7.20495 5.43662 6.36909 7.80054 9.1326 7.02548 5.95858 6.81449 7.30954 numMergedOcc 0
17 mol 167 unq 1 iso 0 dist 9.67741 9.2289 8.91275 6.36909 7.80054 10.5288 7.20495 5.43662 9.25262 9.1326 numMergedOcc 0
18 mol 167 unq 2 iso 0 dist 9.67741 9.2289 8.91275 6.36909 7.80054 10.5288 7.02548 5.95858 3.55199 7.30954 numMergedOcc 0
19 mol 167 unq 3 iso 0 dist 9.67741 7.02548 5.95858 6.36909 7.80054 7.30954 7.20495 5.43662 6.81449 9.1326 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 5.94469 6.64173 4.98436 6.7991 7.05653 9.09234 9.01624 11.9796 11.196 6.76746 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 5.94469 6.64173 4.98436 6.7991 7.05653 9.09234 9.55105 12.3589 10.1041 8.92098 numMergedOcc 0
22 mol 181 unq 2 iso 0 dist 5.94469 9.01624 11.9796 6.7991 7.05653 6.76746 6.64173 4.98436 11.196 9.09234 numMergedOcc 0
23 mol 181 unq 3 iso 0 dist 5.94469 9.01624 11.9796 6.7991 7.05653 6.76746 9.55105 12.3589 3.55187 8.92098 numMergedOcc 0
24 mol 181 unq 4 iso 0 dist 5.94469 9.55105 12.3589 6.7991 7.05653 8.92098 6.64173 4.98436 10.1041 9.09234 numMergedOcc 0
25 mol 181 unq 5 iso 0 dist 5.94469 9.55105 12.3589 6.7991 7.05653 8.92098 9.01624 11.9796 3.55187 6.76746 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 9.24557 9.72188 17.1065 11.9142 8.09718 21.4884 19.192 15.3328 28.16 8.69525 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 7.98231 9.46361 4.10176 11.6195 8.71497 9.43105 14.2242 7.57379 10.1712 8.84648 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 7.98231 9.46361 4.10176 11.6195 8.71497 9.43105 10.3406 4.47425 3.51848 6.23661 numMergedOcc 0
29 mol 259 unq 2 iso 0 dist 7.08526 5.85442 4.47425 5.79468 8.71497 6.23661 11.7465 7.57379 8.0048 8.84648 numMergedOcc 0
30 mol 259 unq 3 iso 0 dist 7.08526 6.95511 4.10176 5.79468 8.71497 9.43105 11.7465 7.57379 10.1712 8.84648 numMergedOcc 0
31 mol 259 unq 4 iso 0 dist 7.08526 6.95511 4.10176 5.79468 8.71497 9.43105 5.85442 4.47425 3.51848 6.23661 numMergedOcc 0
32 mol 279 unq 0 iso 0 dist 7.23721 7.24366 4.05042 5.34838 9.24367 11.0415 10.2562 9.85432 13.095 6.0283 numMergedOcc 0
33 mol 292 unq 0 iso 0 dist 9.88863 9.74118 3.92782 5.98906 5.7131 6.1905 11.3379 5.93687 4.99426 5.84792 numMergedOcc 0
34 mol 292 unq 1 iso 0 dist 9.88863 9.74118 3.92782 5.98906 5.7131 6.1905 14.1177 9.40023 8.21724 8.73515 numMergedOcc 0
