0 mol 45 unq 0 iso 0 dist 8.83919 8.03958 6.87036 8.73518 3.61653 4.5673 8.65083 11.3159 11.1279 9.62637 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 8.83919 8.03958 6.87036 8.73518 3.61653 4.5673 6.07757 8.50375 5.59308 6.01423 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 6.56288 4.75717 7.51319 10.6441 5.22259 9.18097 12.0467 5.61151 12.8729 6.05495 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 6.56288 15.811 9.43839 10.6441 5.22259 8.83135 12.0467 5.61151 3.97167 6.05495 numMergedOcc 0
4 mol 85 unq 2 iso 0 dist 5.97559 4.75717 8.49887 10.6441 7.66499 9.18097 12.0467 6.54289 12.8729 6.05495 numMergedOcc 0
5 mol 116 unq 0 iso 0 dist 7.65919 5.88698 9.12145 13.7943 14.6696 9.2638 12.6748 16.7093 10.3223 7.35992 numMergedOcc 0
6 mol 116 unq 1 iso 0 dist 7.65919 5.88698 9.12145 13.7943 14.6696 9.2638 15.177 16.3887 12.8624 6.49383 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 5.86693 8.04699 9.57243 7.57714 3.84623 8.46376 4.41049 6.40751 6.55605 5.52683 numMergedOcc 0
8 mol 194 unq 0 iso 0 dist 4.55528 12.1121 7.56217 16.5212 12.7379 8.09776 16.1872 12.7281 8.91682 9.3402 numMergedOcc 0
9 mol 194 unq 1 iso 0 dist 4.42095 12.1121 9.81055 16.5212 15.4151 8.09776 16.1872 13.0738 8.91682 9.3402 numMergedOcc 0
10 mol 194 unq 2 iso 0 dist 6.88386 12.5858 7.56217 16.19 12.7379 8.09776 13.1568 12.7281 8.91682 9.3402 numMergedOcc 0
11 mol 194 unq 3 iso 0 dist 4.63898 12.5858 9.81055 16.19 15.4151 8.09776 13.1568 13.0738 8.91682 9.3402 numMergedOcc 0
12 mol 194 unq 4 iso 0 dist 9.53641 17.439 9.81055 24.3505 15.4151 8.09776 21.672 13.0738 8.91682 9.3402 numMergedOcc 0
13 mol 254 unq 0 iso 0 dist 7.94753 5.4699 5.83039 9.05808 4.4384 7.00841 6.43802 10.5706 9.65183 8.94909 numMergedOcc 0
14 mol 254 unq 1 iso 0 dist 9.99046 5.4699 6.74364 9.05808 6.09569 7.00841 6.43802 13.1261 9.65183 8.94909 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 7.43884 6.58663 4.95415 11.9608 5.26919 6.77259 10.4407 9.73748 5.18289 9.71152 numMergedOcc 0
16 mol 280 unq 0 iso 0 dist 8.6212 8.24036 7.00616 10.2233 8.71368 9.38952 9.05443 12.0314 9.6632 5.80452 numMergedOcc 0
17 mol 280 unq 1 iso 0 dist 8.6212 8.24036 7.00616 10.2233 8.71368 9.38952 15.5963 15.3701 12.7222 7.82157 numMergedOcc 0
18 mol 284 unq 0 iso 0 dist 5.2862 12.6047 8.2236 13.6175 9.94624 4.87349 15.7226 12.6969 5.83318 6.61376 numMergedOcc 0
19 mol 284 unq 1 iso 0 dist 5.31097 10.936 8.2236 13.2942 9.94624 4.87349 13.7763 12.6969 5.83318 6.61376 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 9.15937 14.8361 9.29687 11.2841 4.30125 8.67838 6.33111 3.93401 9.01459 5.7131 numMergedOcc 0
