0 mol 16 unq 0 iso 0 dist 8.63347 5.38671 6.57331 8.33883 4.65873 5.05803 5.45161 8.43054 6.92781 6.31718 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.63347 5.45161 8.43054 8.33883 4.65873 6.31718 5.38671 6.57331 6.92781 5.05803 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 8.63347 5.45161 8.43054 9.79958 9.81307 7.63133 6.43294 11.1513 5.32694 5.46498 numMergedOcc 0
3 mol 16 unq 3 iso 0 dist 8.63347 5.45161 8.43054 9.79958 9.81307 7.63133 11.6041 16.7405 10.4155 8.71745 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.03914 12.1132 6.66407 12.5807 5.07458 5.73819 16.6588 10.0168 5.06502 6.20293 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 8.03914 12.1132 6.66407 12.5807 5.07458 5.73819 14.7268 10.9975 5.89973 8.93915 numMergedOcc 0
6 mol 43 unq 2 iso 0 dist 9.04174 9.97169 6.66407 12.2944 5.07458 5.73819 13.9194 10.0168 5.06502 6.20293 numMergedOcc 0
7 mol 43 unq 3 iso 0 dist 9.04174 9.97169 6.66407 12.2944 5.07458 5.73819 15.4668 10.9975 5.89973 8.93915 numMergedOcc 0
8 mol 43 unq 4 iso 0 dist 9.23033 6.6796 6.6263 13.3486 5.41726 8.80331 10.2523 6.75943 8.13395 6.20293 numMergedOcc 0
9 mol 43 unq 5 iso 0 dist 9.23033 10.2523 6.75943 13.3486 5.41726 6.20293 6.6796 6.6263 8.13395 8.80331 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 9.86502 7.06403 7.66093 12.2812 7.07356 9.78528 14.5236 12.1131 8.24309 9.96708 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 7.91605 6.71593 5.5087 14.6361 11.2069 8.70481 20.0928 13.3207 14.9342 9.96396 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 7.91605 6.71593 5.5087 14.6361 11.2069 8.70481 19.4342 13.8368 13.3558 6.19304 numMergedOcc 0
13 mol 73 unq 2 iso 0 dist 6.43707 6.71593 6.08682 14.6361 10.6713 8.70481 20.0928 14.498 14.9342 9.96396 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 6.43707 6.71593 6.08682 14.6361 10.6713 8.70481 19.4342 14.5999 13.3558 6.19304 numMergedOcc 0
15 mol 88 unq 0 iso 0 dist 6.89706 6.07226 7.80898 14.6182 12.1193 9.36773 11.3835 12.785 5.57085 8.31336 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 9.48388 7.72576 7.06939 13.6446 4.3481 9.33898 19.73 12.4681 13.1316 9.64443 numMergedOcc 0
17 mol 92 unq 1 iso 0 dist 8.67475 10.7572 8.3773 4.98104 4.46885 7.4729 5.50764 11.1432 8.95922 6.82344 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 8.32738 5.78906 6.04595 11.1013 5.03039 7.30858 14.24 10.5599 10.8507 5.83991 numMergedOcc 0
19 mol 115 unq 1 iso 0 dist 8.32738 5.78906 6.04595 11.1013 5.03039 7.30858 17.0053 11.8378 11.5723 7.88312 numMergedOcc 0
20 mol 142 unq 0 iso 0 dist 8.21936 9.20754 7.18002 15.1896 13.5913 9.2313 10.5967 10.7696 5.32922 5.31024 numMergedOcc 0
21 mol 142 unq 1 iso 0 dist 8.21936 9.20754 7.18002 14.4987 9.99555 7.73169 10.5967 10.7696 5.32922 7.26382 numMergedOcc 0
22 mol 152 unq 0 iso 0 dist 8.78112 9.66339 8.9192 9.10619 4.84714 8.56324 13.9994 9.27706 7.65448 6.70283 numMergedOcc 0
23 mol 152 unq 1 iso 0 dist 8.78112 9.66339 8.9192 9.10619 4.84714 8.56324 14.2552 11.6735 10.6875 7.16148 numMergedOcc 0
24 mol 178 unq 0 iso 0 dist 6.95432 12.2822 7.06025 8.0974 6.42973 6.69288 12.4338 10.0638 5.34677 6.43573 numMergedOcc 0
25 mol 178 unq 1 iso 0 dist 6.95432 12.2822 7.06025 8.0974 6.42973 6.69288 13.9722 13.2692 11.7381 7.17202 numMergedOcc 0
26 mol 178 unq 2 iso 0 dist 6.95432 12.2822 7.06025 8.0974 6.42973 6.69288 13.5599 15.0672 14.0703 8.81551 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 9.82338 10.568 6.61112 16.7935 11.0961 7.54065 24.3337 18.4751 13.8792 9.70748 numMergedOcc 0
28 mol 186 unq 1 iso 0 dist 9.82338 10.568 6.61112 16.7935 11.0961 7.54065 11.1286 11.456 5.74635 8.87694 numMergedOcc 0
29 mol 222 unq 0 iso 0 dist 5.07975 5.66819 5.56538 11.0097 6.84862 7.21333 18.0384 14.4477 13.3522 8.01589 numMergedOcc 0
30 mol 222 unq 1 iso 0 dist 5.07975 5.66819 5.56538 11.0097 6.84862 7.21333 10.7252 10.0233 5.24516 7.7699 numMergedOcc 0
31 mol 222 unq 2 iso 0 dist 4.85015 5.66819 7.48954 11.0097 9.53117 7.21333 18.0384 16.3082 13.3522 8.01589 numMergedOcc 0
32 mol 222 unq 3 iso 0 dist 4.85015 5.66819 7.48954 11.0097 9.53117 7.21333 10.7252 11.839 5.24516 7.7699 numMergedOcc 0
33 mol 224 unq 0 iso 0 dist 8.83742 10.9485 8.08349 12.5309 5.13732 6.61986 17.838 11.2501 9.54151 9.40098 numMergedOcc 0
34 mol 236 unq 0 iso 0 dist 6.92437 5.74377 8.23087 8.77254 4.66414 8.04248 10.054 11.5798 7.43758 8.35971 numMergedOcc 0
35 mol 248 unq 0 iso 0 dist 7.90773 4.53213 9.05018 8.71859 4.58289 7.69895 6.33032 9.33962 5.55137 7.21521 numMergedOcc 0
36 mol 248 unq 1 iso 0 dist 7.90773 4.53213 9.05018 8.71859 4.58289 7.69895 11.762 11.4547 10.8081 8.2965 numMergedOcc 0
37 mol 252 unq 0 iso 0 dist 4.54745 5.26867 7.15764 9.73021 7.40852 7.19638 16.5881 13.1298 14.9102 8.33025 numMergedOcc 0
38 mol 252 unq 1 iso 0 dist 4.54745 5.26867 7.15764 9.73021 7.40852 7.19638 12.5855 10.5687 11.7918 9.2288 numMergedOcc 0
39 mol 273 unq 0 iso 0 dist 9.45329 7.52275 9.59325 12.4988 12.2939 9.01049 10.3091 14.6946 7.03728 6.92774 numMergedOcc 0
40 mol 273 unq 1 iso 0 dist 9.45329 7.52275 9.59325 12.4988 12.2939 9.01049 15.3019 15.4762 8.05475 9.2983 numMergedOcc 0
