0 mol 0 unq 0 iso 0 dist 8.82652 10.1875 9.72725 12.7669 6.0225 7.65806 17.9326 12.8524 9.15528 6.91778 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.96415 7.15287 5.99459 6.22892 6.88805 8.41585 15.5737 10.3333 14.7759 9.68596 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.14598 9.20254 7.95042 6.85331 5.69214 6.86014 10.7574 10.8435 4.32034 7.33768 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.14598 9.20254 7.95042 6.85331 5.69214 6.86014 15.2995 10.8068 8.67951 9.01567 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.14598 9.20254 7.95042 6.85331 5.69214 6.86014 12.8157 5.80953 8.52463 7.29868 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.14598 9.20254 7.95042 10.4452 5.11636 8.86116 12.8157 5.80953 8.52463 8.60554 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 8.14598 9.20254 7.95042 10.4452 5.11636 8.86116 15.9012 12.8213 10.971 8.44664 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 8.14598 9.20254 7.95042 10.4452 5.11636 8.86116 19.0271 11.7489 13.4893 9.44691 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 6.88243 7.93761 5.38524 11.2558 5.61579 6.81627 13.0935 10.4354 7.09066 7.21955 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 6.88243 13.2851 8.69057 11.2558 5.61579 7.32874 13.0935 10.4354 7.12541 7.21955 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.82056 4.30874 5.5087 11.6749 11.2069 8.70481 17.9898 14.6027 15.3808 9.24757 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 9.09115 4.30874 6.08682 11.6749 10.6713 8.70481 17.9898 13.8591 15.3808 9.24757 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 6.84952 5.82029 7.02507 10.8197 7.03983 6.48948 10.3493 9.84743 7.42446 6.65501 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 9.71342 6.29782 5.58833 10.514 9.00231 5.83384 8.05783 9.8591 4.55551 6.28565 numMergedOcc 0
14 mol 129 unq 1 iso 0 dist 9.71342 6.29782 5.58833 10.514 9.00231 5.83384 11.9282 15.5412 10.5488 7.58957 numMergedOcc 0
15 mol 129 unq 2 iso 0 dist 8.57774 5.99695 5.58833 10.482 9.00231 5.83384 5.9261 9.8591 4.55551 6.28565 numMergedOcc 0
16 mol 129 unq 3 iso 0 dist 8.57774 5.99695 5.58833 10.482 9.00231 5.83384 13.835 15.5412 10.5488 7.58957 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 9.7105 9.71227 7.22643 7.15203 6.9945 8.22656 5.86611 13.0475 10.6025 7.71248 numMergedOcc 0
18 mol 155 unq 0 iso 0 dist 5.55218 13.8829 8.97626 9.91732 4.91785 6.43582 12.2688 9.16358 5.50031 7.92304 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 8.39573 12.5935 9.01624 13.3844 5.71898 7.81386 5.39949 5.99437 7.20191 9.39829 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 8.39573 12.5935 9.01624 9.63295 5.93724 7.63312 14.1039 10.5303 5.63555 5.9176 numMergedOcc 0
21 mol 181 unq 2 iso 0 dist 8.39573 12.5935 9.01624 9.63295 5.93724 7.63312 5.39949 5.99437 7.20191 6.41453 numMergedOcc 0
22 mol 182 unq 0 iso 0 dist 8.8774 4.85077 9.56028 12.503 8.82964 9.31746 12.3479 13.3817 7.68794 6.73956 numMergedOcc 0
23 mol 182 unq 1 iso 0 dist 8.8774 4.85077 9.56028 12.503 8.82964 9.31746 13.6263 12.6564 9.37404 7.09394 numMergedOcc 0
24 mol 192 unq 0 iso 0 dist 9.63224 6.34098 9.78634 11.1541 9.53265 5.59424 13.9034 15.7529 8.49529 8.77999 numMergedOcc 0
25 mol 192 unq 1 iso 0 dist 6.98794 6.34098 5.64942 11.1541 6.35474 5.59424 13.9034 13.3256 8.49529 8.77999 numMergedOcc 0
26 mol 192 unq 2 iso 0 dist 6.98794 9.57246 6.97962 11.1541 6.35474 7.00794 13.9034 13.3256 11.7523 8.77999 numMergedOcc 0
27 mol 205 unq 0 iso 0 dist 6.75579 4.25942 6.52816 10.4618 13.514 7.26832 11.7933 16.7889 10.3603 5.44002 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 8.57781 15.4433 8.08349 13.3678 5.13732 6.61986 17.9209 10.7847 12.4692 9.51597 numMergedOcc 0
29 mol 224 unq 1 iso 0 dist 5.36326 4.55824 8.08349 7.04127 5.13732 6.61986 13.4507 10.7847 12.4692 9.51597 numMergedOcc 0
