0 mol 17 unq 0 iso 0 dist 8.25257 7.8714 5.61893 8.37422 4.64234 4.0384 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 8.25257 7.8714 5.61893 5.99723 6.26254 4.31247 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.90242 12.921 5.29367 15.9311 8.97566 4.88554 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 9.90242 12.921 5.29367 8.4126 8.81085 8.73565 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 9.07029 12.921 8.07937 7.18898 7.89667 13.3615 numMergedOcc 0
5 mol 26 unq 3 iso 0 dist 9.07029 7.62792 6.42206 7.18898 7.89667 3.63999 numMergedOcc 0
6 mol 26 unq 4 iso 0 dist 9.07029 15.6943 9.66602 7.18898 7.89667 13.5789 numMergedOcc 0
7 mol 26 unq 5 iso 0 dist 5.71245 5.04687 7.04707 3.38988 7.26165 3.9368 numMergedOcc 0
8 mol 69 unq 0 iso 0 dist 9.34288 7.06696 7.17678 11.2122 5.75135 6.25587 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 9.00045 4.93105 6.27186 16.7918 8.03895 13.4907 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 9.00045 4.93105 6.27186 14.0325 5.68873 10.4533 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 4.45006 5.25364 8.52947 7.76629 5.10693 10.8428 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 4.45006 5.25364 8.52947 8.52218 6.58814 12.1443 numMergedOcc 0
13 mol 93 unq 2 iso 0 dist 4.45006 5.25364 8.52947 3.83191 6.13459 6.46649 numMergedOcc 0
14 mol 93 unq 3 iso 0 dist 4.45006 5.25364 8.52947 3.77555 7.54391 7.18673 numMergedOcc 0
15 mol 93 unq 4 iso 0 dist 4.45006 7.1496 8.84466 7.76629 5.10693 13.6305 numMergedOcc 0
16 mol 93 unq 5 iso 0 dist 4.45006 7.1496 8.84466 8.52218 6.58814 14.1431 numMergedOcc 0
17 mol 93 unq 6 iso 0 dist 4.45006 7.1496 8.84466 3.83191 6.13459 3.99275 numMergedOcc 0
18 mol 93 unq 7 iso 0 dist 4.45006 7.1496 8.84466 3.77555 7.54391 6.46195 numMergedOcc 0
19 mol 113 unq 0 iso 0 dist 7.92498 6.31058 8.28452 7.50896 7.08403 3.7042 numMergedOcc 0
20 mol 113 unq 1 iso 0 dist 7.92498 11.6347 8.44004 7.50896 7.08403 12.5507 numMergedOcc 0
21 mol 128 unq 0 iso 0 dist 7.4738 10.7154 8.98367 9.10228 5.38983 10.337 numMergedOcc 0
22 mol 128 unq 1 iso 0 dist 8.88867 13.7855 9.35162 9.10228 8.46801 13.5215 numMergedOcc 0
23 mol 141 unq 0 iso 0 dist 6.74947 6.24568 8.0302 6.34139 6.41183 3.48408 numMergedOcc 0
24 mol 141 unq 1 iso 0 dist 6.74947 7.74601 6.65051 6.34139 6.41183 5.71838 numMergedOcc 0
25 mol 141 unq 2 iso 0 dist 6.74947 10.8712 9.41519 6.34139 6.41183 10.616 numMergedOcc 0
26 mol 169 unq 0 iso 0 dist 8.11268 6.33958 8.56204 7.64279 7.33643 3.86496 numMergedOcc 0
27 mol 176 unq 0 iso 0 dist 8.85187 9.75201 9.84843 13.3934 9.09554 8.44347 numMergedOcc 0
28 mol 220 unq 0 iso 0 dist 4.17978 6.56866 9.86936 5.32983 8.60252 8.19691 numMergedOcc 0
