0 mol 11 unq 0 iso 0 dist 6.56599 5.19841 5.43238 13.1065 7.85924 9.53002 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 9.9648 6.06895 7.01363 10.9921 6.47744 9.58673 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 7.7933 4.97497 8.4517 8.75668 5.35421 8.68586 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 7.7933 4.97497 8.4517 9.64871 5.68303 9.54144 numMergedOcc 0
4 mol 105 unq 0 iso 0 dist 6.88308 4.27067 6.52726 11.2777 6.25861 8.36733 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 9.33819 8.89566 7.36816 14.5212 9.2907 8.71128 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 9.33819 8.89566 7.36816 13.3463 5.33327 7.52743 numMergedOcc 0
7 mol 140 unq 0 iso 0 dist 9.12189 8.09964 7.49546 12.3541 5.58533 6.95323 numMergedOcc 0
8 mol 140 unq 1 iso 0 dist 9.12189 8.09964 7.49546 11.3469 4.6872 7.27371 numMergedOcc 0
9 mol 140 unq 2 iso 0 dist 5.8277 6.57826 7.49546 8.67876 5.58533 6.95323 numMergedOcc 0
10 mol 140 unq 3 iso 0 dist 5.8277 6.57826 7.49546 9.11235 4.6872 7.27371 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 5.89833 6.72205 8.20656 10.6064 8.25067 6.94688 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 5.89833 10.7557 9.40622 10.6064 8.25067 6.71012 numMergedOcc 0
13 mol 213 unq 0 iso 0 dist 7.48151 13.6126 8.74171 16.4089 11.1059 8.45368 numMergedOcc 0
14 mol 213 unq 1 iso 0 dist 7.48151 13.6126 8.74171 11.2055 12.2579 9.59129 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 9.89345 4.76056 8.89778 7.49783 7.98696 7.06793 numMergedOcc 0
16 mol 224 unq 1 iso 0 dist 9.89345 10.7068 9.47554 7.49783 7.98696 6.67585 numMergedOcc 0
17 mol 224 unq 2 iso 0 dist 9.89345 10.7068 9.47554 11.5265 7.12232 6.65984 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 8.7572 5.14615 8.75834 9.98376 10.7506 5.50387 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 9.33963 5.42723 6.152 9.79656 8.8709 9.62609 numMergedOcc 0
20 mol 227 unq 1 iso 0 dist 9.33963 6.20562 7.95168 11.5171 13.3557 8.17891 numMergedOcc 0
21 mol 227 unq 2 iso 0 dist 9.33963 6.20562 7.95168 9.79656 8.8709 6.95902 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 9.61559 5.2539 6.00721 12.9484 5.68826 8.14172 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 9.61559 5.2539 6.00721 11.6387 4.87097 6.77463 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 8.64747 10.9732 6.34801 6.43546 6.26168 7.20082 numMergedOcc 0
25 mol 250 unq 0 iso 0 dist 8.51531 11.4033 7.88284 14.2239 11.0402 8.80086 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 9.60653 3.83813 7.4363 6.11671 7.44916 7.50578 numMergedOcc 0
27 mol 270 unq 0 iso 0 dist 9.91826 14.286 9.16073 19.11 10.1677 8.25349 numMergedOcc 0
28 mol 282 unq 0 iso 0 dist 5.98155 5.36361 6.73692 10.9791 5.9438 9.58517 numMergedOcc 0
