0 mol 6 unq 0 iso 0 dist 9.50612 12.4614 4.82562 15.3597 6.94663 6.8041 numMergedOcc 0
1 mol 6 unq 1 iso 0 dist 6.46784 6.96917 4.82562 9.12748 6.94663 6.8041 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 5.11382 6.74888 5.65754 8.7263 9.63925 8.3964 numMergedOcc 0
3 mol 37 unq 0 iso 0 dist 6.32052 4.2096 4.07334 11.1055 5.48483 8.37816 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 8.83919 8.03958 6.87036 8.73518 3.61653 4.5673 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 9.48328 4.99432 5.43913 8.31952 10.8889 6.42242 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 6.56288 4.75717 7.51319 10.6441 5.22259 9.18097 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 6.56288 15.811 9.43839 10.6441 5.22259 8.83135 numMergedOcc 0
8 mol 85 unq 2 iso 0 dist 5.97559 4.75717 8.49887 10.6441 7.66499 9.18097 numMergedOcc 0
9 mol 96 unq 0 iso 0 dist 7.22615 6.04753 8.79886 12.4555 7.86339 9.46568 numMergedOcc 0
10 mol 116 unq 0 iso 0 dist 7.65919 5.88698 9.12145 13.7943 14.6696 9.2638 numMergedOcc 0
11 mol 124 unq 0 iso 0 dist 8.06631 12.0208 8.50362 17.383 9.91987 9.18949 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 5.86693 8.04699 9.57243 7.57714 3.84623 8.46376 numMergedOcc 0
13 mol 158 unq 0 iso 0 dist 8.24681 11.1698 9.27714 16.8827 11.5349 8.07946 numMergedOcc 0
14 mol 158 unq 1 iso 0 dist 6.51748 10.0941 9.27714 14.0246 11.5349 8.07946 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 4.55528 12.1121 7.56217 16.5212 12.7379 8.09776 numMergedOcc 0
16 mol 194 unq 1 iso 0 dist 4.55528 12.1121 7.56217 7.71806 3.7326 5.4455 numMergedOcc 0
17 mol 194 unq 2 iso 0 dist 4.42095 12.1121 9.81055 16.5212 15.4151 8.09776 numMergedOcc 0
18 mol 194 unq 3 iso 0 dist 4.42095 12.1121 9.81055 7.71806 7.29209 5.4455 numMergedOcc 0
19 mol 194 unq 4 iso 0 dist 6.88386 12.5858 7.56217 16.19 12.7379 8.09776 numMergedOcc 0
20 mol 194 unq 5 iso 0 dist 6.88386 12.5858 7.56217 9.59959 3.7326 5.4455 numMergedOcc 0
21 mol 194 unq 6 iso 0 dist 4.63898 12.5858 9.81055 16.19 15.4151 8.09776 numMergedOcc 0
22 mol 194 unq 7 iso 0 dist 4.63898 12.5858 9.81055 9.59959 7.29209 5.4455 numMergedOcc 0
23 mol 194 unq 8 iso 0 dist 9.53641 17.439 9.81055 24.3505 15.4151 8.09776 numMergedOcc 0
24 mol 194 unq 9 iso 0 dist 9.53641 17.439 9.81055 15.4481 7.29209 5.4455 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 9.38235 8.80016 9.92651 12.6642 9.07662 9.46973 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 5.79883 5.28237 5.19729 12.2589 8.82573 8.89981 numMergedOcc 0
27 mol 252 unq 0 iso 0 dist 5.2116 6.07355 9.09279 11.1497 10.3958 7.60896 numMergedOcc 0
28 mol 253 unq 0 iso 0 dist 8.58013 4.8687 6.3093 9.46975 6.06804 8.64294 numMergedOcc 0
29 mol 254 unq 0 iso 0 dist 7.94753 5.4699 5.83039 9.05808 4.4384 7.00841 numMergedOcc 0
30 mol 254 unq 1 iso 0 dist 9.99046 5.4699 6.74364 9.05808 6.09569 7.00841 numMergedOcc 0
31 mol 266 unq 0 iso 0 dist 7.43884 6.58663 4.95415 11.9608 5.26919 6.77259 numMergedOcc 0
32 mol 280 unq 0 iso 0 dist 8.6212 8.24036 7.00616 10.2233 8.71368 9.38952 numMergedOcc 0
33 mol 284 unq 0 iso 0 dist 5.2862 12.6047 8.2236 13.6175 9.94624 4.87349 numMergedOcc 0
34 mol 284 unq 1 iso 0 dist 5.31097 10.936 8.2236 13.2942 9.94624 4.87349 numMergedOcc 0
35 mol 292 unq 0 iso 0 dist 9.15937 14.8361 9.29687 11.2841 4.30125 8.67838 numMergedOcc 0
