0 mol 26 unq 0 iso 0 dist 7.04707 11.7206 9.32718 3.9368 7.26165 13.7643 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 6.30807 4.38332 8.51496 9.29547 5.80534 8.7139 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 7.17678 6.26461 8.91502 6.25587 5.75135 10.4849 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 8.61468 14.6435 9.4486 13.4907 8.48827 4.35598 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 8.61468 14.6435 9.4486 10.4533 7.14048 5.50339 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 5.59846 4.20309 6.85867 6.02019 8.56269 9.33803 numMergedOcc 0
6 mol 88 unq 1 iso 0 dist 5.59846 4.20309 6.85867 9.17488 9.40699 5.46401 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 8.52947 14.4934 7.4518 10.8428 5.10693 4.34681 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 8.52947 14.4934 7.4518 12.1443 6.58814 5.73248 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 8.52947 14.4934 7.4518 6.46649 6.13459 13.5809 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 8.52947 14.4934 7.4518 7.18673 7.54391 14.149 numMergedOcc 0
11 mol 93 unq 4 iso 0 dist 8.52947 11.7807 9.1687 10.8428 5.10693 9.11796 numMergedOcc 0
12 mol 93 unq 5 iso 0 dist 8.52947 11.7807 9.1687 12.1443 6.58814 7.24672 numMergedOcc 0
13 mol 93 unq 6 iso 0 dist 8.52947 11.7807 9.1687 6.46649 6.13459 10.6039 numMergedOcc 0
14 mol 93 unq 7 iso 0 dist 8.52947 11.7807 9.1687 7.18673 7.54391 6.48338 numMergedOcc 0
15 mol 93 unq 8 iso 0 dist 8.84466 16.0131 7.4518 13.6305 5.10693 4.34681 numMergedOcc 0
16 mol 93 unq 9 iso 0 dist 8.84466 16.0131 7.4518 14.1431 6.58814 5.73248 numMergedOcc 0
17 mol 93 unq 10 iso 0 dist 8.84466 16.0131 7.4518 3.99275 6.13459 13.5809 numMergedOcc 0
18 mol 93 unq 11 iso 0 dist 8.84466 16.0131 7.4518 6.46195 7.54391 14.149 numMergedOcc 0
19 mol 93 unq 12 iso 0 dist 8.84466 11.7408 9.1687 13.6305 5.10693 9.11796 numMergedOcc 0
20 mol 93 unq 13 iso 0 dist 8.84466 11.7408 9.1687 14.1431 6.58814 7.24672 numMergedOcc 0
21 mol 93 unq 14 iso 0 dist 8.84466 11.7408 9.1687 3.99275 6.13459 10.6039 numMergedOcc 0
22 mol 93 unq 15 iso 0 dist 8.84466 11.7408 9.1687 6.46195 7.54391 6.48338 numMergedOcc 0
23 mol 113 unq 0 iso 0 dist 8.28452 5.58964 5.37302 3.7042 7.08403 3.52111 numMergedOcc 0
24 mol 113 unq 1 iso 0 dist 8.44004 12.297 5.37302 12.5507 7.08403 3.52111 numMergedOcc 0
25 mol 128 unq 0 iso 0 dist 9.35162 10.2009 9.49761 13.5215 8.46801 12.2606 numMergedOcc 0
26 mol 128 unq 1 iso 0 dist 9.35162 7.34304 6.03154 13.5215 8.46801 6.30769 numMergedOcc 0
27 mol 133 unq 0 iso 0 dist 5.7232 8.11294 6.72323 4.88335 8.52036 12.7291 numMergedOcc 0
28 mol 141 unq 0 iso 0 dist 8.0302 6.13227 8.01453 3.48408 6.41183 5.16197 numMergedOcc 0
29 mol 141 unq 1 iso 0 dist 6.65051 5.50161 8.01453 5.71838 6.41183 5.16197 numMergedOcc 0
30 mol 141 unq 2 iso 0 dist 9.41519 9.59112 8.01453 10.616 6.41183 5.16197 numMergedOcc 0
31 mol 147 unq 0 iso 0 dist 6.28769 8.52762 9.41073 7.56825 8.76449 10.1443 numMergedOcc 0
32 mol 147 unq 1 iso 0 dist 6.28769 8.52762 9.41073 5.56838 8.36182 11.2502 numMergedOcc 0
33 mol 169 unq 0 iso 0 dist 8.56204 5.82243 5.51388 3.86496 7.33643 3.83687 numMergedOcc 0
34 mol 244 unq 0 iso 0 dist 7.00974 7.72205 5.79898 8.83892 5.16859 10.1665 numMergedOcc 0
35 mol 244 unq 1 iso 0 dist 7.00974 7.72205 5.79898 6.49718 4.79207 5.68434 numMergedOcc 0
36 mol 247 unq 0 iso 0 dist 8.72346 5.81946 6.18065 9.41036 4.78189 8.67313 numMergedOcc 0
37 mol 247 unq 1 iso 0 dist 7.39069 11.7687 6.18065 11.1225 4.78189 8.67313 numMergedOcc 0
38 mol 253 unq 0 iso 0 dist 7.02076 12.8127 9.34735 9.06758 8.71119 6.06804 numMergedOcc 0
39 mol 253 unq 1 iso 0 dist 7.02076 12.8127 9.34735 7.93354 6.21648 8.66074 numMergedOcc 0
40 mol 268 unq 0 iso 0 dist 9.7384 8.90545 8.6745 7.09622 6.18877 3.75857 numMergedOcc 0
