0 mol 9 unq 0 iso 0 dist 8.47421 8.27962 9.29529 11.4878 7.2199 5.80437 8.57077 5.60154 6.85412 6.33889 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.47421 11.4878 7.2199 8.27962 9.29529 5.80437 8.57077 5.60154 6.33889 6.85412 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 6.33889 5.60154 7.2199 4.61049 6.9513 6.27573 8.57077 11.4878 8.47421 12.6047 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 6.33889 5.60154 7.2199 6.64015 9.16116 11.1737 8.57077 11.4878 8.47421 14.9473 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 6.33889 5.60154 7.2199 13.7377 8.47109 10.9842 8.57077 11.4878 8.47421 16.8226 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 9.20119 5.67689 8.59109 16.2375 8.13782 14.5783 11.2563 9.01651 7.06308 14.3965 numMergedOcc 0
6 mol 45 unq 1 iso 0 dist 9.20119 5.67689 8.59109 16.2375 8.13782 14.5783 7.58835 6.89191 6.34173 14.4997 numMergedOcc 0
7 mol 45 unq 2 iso 0 dist 9.20119 5.67689 8.59109 16.2375 8.13782 14.5783 11.5838 5.54436 9.43442 11.2545 numMergedOcc 0
8 mol 45 unq 3 iso 0 dist 9.20119 16.2375 8.13782 5.67689 8.59109 14.5783 15.0348 7.39653 6.99408 15.6951 numMergedOcc 0
9 mol 45 unq 4 iso 0 dist 9.20119 16.2375 8.13782 5.67689 8.59109 14.5783 19.2693 10.6095 9.3403 19.075 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 6.40841 4.55117 8.80108 5.64209 6.50297 7.57085 10.1508 6.78077 9.33535 10.8928 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 6.40841 4.55117 8.80108 5.64209 6.50297 7.57085 7.32874 6.75888 8.26899 11.3177 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 8.63333 5.92889 7.01363 10.6476 6.96494 6.49184 6.86465 6.47744 9.58673 12.4575 numMergedOcc 0
13 mol 58 unq 3 iso 0 dist 8.89374 7.05413 7.01363 12.7331 6.96494 6.49184 6.35756 6.47744 9.58673 12.4575 numMergedOcc 0
14 mol 58 unq 4 iso 0 dist 6.46761 6.61756 7.01363 8.74789 6.96494 6.49184 10.3224 6.47744 9.58673 12.4575 numMergedOcc 0
15 mol 58 unq 5 iso 0 dist 7.58407 14.7581 8.80108 8.74789 6.50297 7.57085 13.9483 6.78077 9.33535 10.8928 numMergedOcc 0
16 mol 58 unq 6 iso 0 dist 7.58407 14.7581 8.80108 8.74789 6.50297 7.57085 13.4544 6.75888 8.26899 11.3177 numMergedOcc 0
17 mol 58 unq 7 iso 0 dist 9.73139 8.94672 7.01363 7.02095 6.96494 6.49184 15.4557 6.47744 9.58673 12.4575 numMergedOcc 0
18 mol 58 unq 8 iso 0 dist 6.31428 10.3782 8.80108 7.02095 6.50297 7.57085 12.7357 6.78077 9.33535 10.8928 numMergedOcc 0
19 mol 58 unq 9 iso 0 dist 6.31428 10.3782 8.80108 7.02095 6.50297 7.57085 9.55426 6.75888 8.26899 11.3177 numMergedOcc 0
20 mol 72 unq 0 iso 0 dist 7.321 7.11552 9.19459 7.17489 8.59747 4.64409 10.8086 6.00418 8.624 10.0983 numMergedOcc 0
21 mol 72 unq 1 iso 0 dist 7.321 7.11552 9.19459 7.17489 8.59747 4.64409 9.96708 9.0131 6.77912 10.4676 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 7.76729 10.2377 6.40036 6.34759 7.99631 9.37623 9.33865 10.7942 7.64585 12.0409 numMergedOcc 0
23 mol 155 unq 0 iso 0 dist 7.16254 4.9093 6.51096 10.7896 8.73171 6.0706 6.23493 6.3845 9.17284 13.2459 numMergedOcc 0
24 mol 155 unq 1 iso 0 dist 7.16254 4.9093 6.51096 10.7896 8.73171 6.0706 12.1555 5.48883 9.87281 8.27111 numMergedOcc 0
25 mol 155 unq 2 iso 0 dist 7.16254 4.9093 6.51096 10.7896 8.73171 6.0706 11.6934 5.77564 8.87452 7.68368 numMergedOcc 0
26 mol 155 unq 3 iso 0 dist 7.16254 10.7896 8.73171 4.9093 6.51096 6.0706 12.1555 5.48883 8.27111 9.87281 numMergedOcc 0
27 mol 155 unq 4 iso 0 dist 7.16254 10.7896 8.73171 4.9093 6.51096 6.0706 11.6934 5.77564 7.68368 8.87452 numMergedOcc 0
28 mol 155 unq 5 iso 0 dist 9.14392 6.3437 6.51096 9.99927 8.73171 6.0706 7.46303 6.3845 9.17284 13.2459 numMergedOcc 0
29 mol 155 unq 6 iso 0 dist 9.14392 6.3437 6.51096 9.99927 8.73171 6.0706 12.3052 5.48883 9.87281 8.27111 numMergedOcc 0
30 mol 155 unq 7 iso 0 dist 9.14392 6.3437 6.51096 9.99927 8.73171 6.0706 13.4817 5.77564 8.87452 7.68368 numMergedOcc 0
31 mol 155 unq 8 iso 0 dist 9.14392 9.99927 8.73171 6.3437 6.51096 6.0706 12.3052 5.48883 8.27111 9.87281 numMergedOcc 0
32 mol 155 unq 9 iso 0 dist 9.14392 9.99927 8.73171 6.3437 6.51096 6.0706 13.4817 5.77564 7.68368 8.87452 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 9.6668 6.80228 8.20656 11.6919 9.40622 5.3528 9.15386 8.25067 6.94688 6.71012 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 9.6668 11.6919 9.40622 6.80228 8.20656 5.3528 9.15386 8.25067 6.71012 6.94688 numMergedOcc 0
35 mol 213 unq 0 iso 0 dist 6.68292 11.1063 8.74171 4.93472 6.85195 7.39803 16.7686 11.1059 8.45368 14.1277 numMergedOcc 0
36 mol 213 unq 1 iso 0 dist 6.68292 11.1063 8.74171 4.93472 6.85195 7.39803 12.9274 12.2579 9.59129 12.5357 numMergedOcc 0
37 mol 218 unq 0 iso 0 dist 7.17547 10.2673 6.75035 4.54272 8.57853 8.16398 10.9501 7.47048 8.53199 10.9531 numMergedOcc 0
38 mol 218 unq 1 iso 0 dist 7.13323 6.60235 6.75035 6.8949 8.57853 8.16398 12.8943 7.47048 8.53199 10.9531 numMergedOcc 0
39 mol 224 unq 0 iso 0 dist 6.87664 9.36098 8.89778 5.29877 9.47554 6.88258 8.95269 7.98696 7.06793 6.67585 numMergedOcc 0
40 mol 224 unq 1 iso 0 dist 6.87664 5.29877 9.47554 9.36098 8.89778 6.88258 8.95269 7.98696 6.67585 7.06793 numMergedOcc 0
41 mol 224 unq 2 iso 0 dist 6.87664 5.29877 9.47554 9.36098 8.89778 6.88258 6.57273 7.12232 6.65984 10.0414 numMergedOcc 0
42 mol 234 unq 0 iso 0 dist 9.5707 5.56749 8.49841 12.1076 9.6101 10.9755 10.3625 5.9221 6.16063 11.4691 numMergedOcc 0
