0 mol 32 unq 0 iso 0 dist 7.18766 7.48825 9.61004 4.84198 5.9972 10.9253 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.55901 9.03412 10.3706 12.0023 9.56614 10.3175 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 8.59109 8.13782 14.5783 3.82801 9.44125 11.5526 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 8.80108 6.50297 7.57085 3.8375 8.88313 7.07522 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 8.80108 6.50297 7.57085 6.11446 5.48837 9.15753 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 6.96494 7.01363 6.49184 5.87305 7.07522 11.2342 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 6.96494 7.01363 6.49184 11.3972 9.15753 14.9905 numMergedOcc 0
7 mol 58 unq 4 iso 0 dist 6.50297 8.80108 7.57085 3.8375 7.07522 8.88313 numMergedOcc 0
8 mol 58 unq 5 iso 0 dist 6.50297 8.80108 7.57085 6.11446 9.15753 5.48837 numMergedOcc 0
9 mol 58 unq 6 iso 0 dist 7.01363 6.96494 6.49184 4.43437 8.98478 11.1006 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 8.39249 9.86739 7.68699 12.4143 7.93956 12.6545 numMergedOcc 0
11 mol 114 unq 1 iso 0 dist 8.39249 8.93623 10.0883 12.4143 7.93956 17.4617 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 6.2135 8.55681 10.8776 5.09294 9.75587 13.1263 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 9.40622 8.20656 5.3528 10.4087 7.61421 11.7261 numMergedOcc 0
14 mol 213 unq 0 iso 0 dist 8.74171 6.85195 7.39803 8.90887 7.77553 11.2968 numMergedOcc 0
15 mol 218 unq 0 iso 0 dist 8.57853 6.75035 8.16398 4.36581 9.39609 10.5989 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 8.75834 9.36396 15.6443 14.7677 9.27079 23.565 numMergedOcc 0
17 mol 234 unq 0 iso 0 dist 9.6101 5.32183 9.35875 6.12476 5.69634 6.81195 numMergedOcc 0
18 mol 234 unq 1 iso 0 dist 5.32183 9.6101 9.35875 6.12476 6.81195 5.69634 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 8.70193 6.65088 10.6286 9.47316 8.54425 15.2436 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 8.70193 6.5772 6.32518 9.47316 8.54425 12.4235 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 8.70193 6.17025 12.6266 9.47316 8.54425 12.149 numMergedOcc 0
22 mol 238 unq 3 iso 0 dist 8.70193 9.0378 17.3008 9.47316 8.54425 14.8497 numMergedOcc 0
23 mol 250 unq 0 iso 0 dist 8.86638 5.94383 4.81479 3.70231 8.73744 6.61917 numMergedOcc 0
24 mol 250 unq 1 iso 0 dist 8.86638 8.16469 9.82907 3.70231 8.73744 10.8596 numMergedOcc 0
25 mol 250 unq 2 iso 0 dist 5.94383 8.86638 4.81479 3.70231 6.61917 8.73744 numMergedOcc 0
26 mol 250 unq 3 iso 0 dist 5.94383 8.16469 6.17591 3.70231 6.61917 10.8596 numMergedOcc 0
27 mol 250 unq 4 iso 0 dist 7.88284 9.88279 6.17591 6.14028 6.61917 10.8596 numMergedOcc 0
