0 mol 24 unq 0 iso 0 dist 6.40189 10.212 8.87744 10.6956 6.28159 7.36323 5.22014 3.73215 7.27472 5.50396 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.22014 10.212 7.27472 10.6956 5.50396 7.36323 6.40189 3.73215 8.87744 6.28159 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.86485 4.67517 8.96727 9.74058 9.87158 6.35756 8.37546 6.20884 8.01308 5.86526 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 8.37546 4.67517 8.01308 9.74058 5.86526 6.35756 6.86485 6.20884 8.96727 9.87158 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 9.76234 8.47822 8.96727 12.818 9.87158 6.35756 10.1165 6.20884 8.01308 5.86526 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 9.77082 15.821 9.3948 9.17862 3.94537 7.27724 12.6856 8.00584 9.74607 6.12605 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 9.77082 15.821 9.3948 15.8862 11.3215 8.03644 12.6856 8.00584 9.74607 5.06946 numMergedOcc 0
7 mol 95 unq 2 iso 0 dist 8.0675 9.7565 9.3948 8.27456 3.94537 7.27724 14.3138 8.00584 9.74607 6.12605 numMergedOcc 0
8 mol 95 unq 3 iso 0 dist 8.0675 9.7565 9.3948 15.5421 11.3215 8.03644 14.3138 8.00584 9.74607 5.06946 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 5.44426 4.70157 5.92242 4.31067 3.9764 6.48948 7.63284 9.6331 7.02507 7.03983 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 5.44426 6.21302 5.2571 4.31067 3.9764 6.10456 10.877 6.70343 7.54889 10.4782 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 7.63284 4.70157 7.02507 4.31067 7.03983 6.48948 5.44426 9.6331 5.92242 3.9764 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 8.65429 9.9123 7.54889 15.6411 10.4782 6.10456 13.0419 6.70343 5.2571 3.9764 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 8.29463 5.06206 5.35782 11.2501 6.30222 6.45675 11.6594 3.5565 7.82475 5.43561 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 8.29463 5.06206 5.35782 10.4409 5.47563 7.47343 11.6594 3.5565 7.82475 5.9143 numMergedOcc 0
15 mol 100 unq 2 iso 0 dist 8.29463 5.06206 5.35782 11.3142 5.03232 8.86688 11.6594 3.5565 7.82475 5.25234 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 5.93561 5.15479 6.29161 10.5366 6.73011 7.34473 5.33967 7.49425 7.86666 13.0886 numMergedOcc 0
17 mol 109 unq 1 iso 0 dist 5.33967 5.15479 7.86666 10.5366 13.0886 7.34473 5.93561 7.49425 6.29161 6.73011 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 6.17349 6.86762 7.69765 12.9567 10.3209 7.30858 9.21978 11.044 9.42082 15.3161 numMergedOcc 0
19 mol 115 unq 1 iso 0 dist 6.17349 6.86762 7.69765 5.11612 4.48636 5.83991 9.21978 11.044 9.42082 6.63111 numMergedOcc 0
20 mol 115 unq 2 iso 0 dist 6.17349 6.86762 7.69765 11.7895 11.835 7.88312 9.21978 11.044 9.42082 6.07067 numMergedOcc 0
21 mol 115 unq 3 iso 0 dist 9.21978 6.86762 9.42082 12.9567 15.3161 7.30858 6.17349 11.044 7.69765 10.3209 numMergedOcc 0
22 mol 115 unq 4 iso 0 dist 9.21978 6.86762 9.42082 5.11612 6.63111 5.83991 6.17349 11.044 7.69765 4.48636 numMergedOcc 0
23 mol 115 unq 5 iso 0 dist 9.21978 6.86762 9.42082 11.7895 6.07067 7.88312 6.17349 11.044 7.69765 11.835 numMergedOcc 0
24 mol 129 unq 0 iso 0 dist 8.4375 5.57978 6.69691 7.00798 8.26896 8.54584 8.62413 5.94312 5.51197 12.1739 numMergedOcc 0
25 mol 129 unq 1 iso 0 dist 8.4375 5.57978 6.69691 7.00798 8.26896 8.54584 6.93102 5.35495 8.86944 5.63254 numMergedOcc 0
26 mol 129 unq 2 iso 0 dist 8.62413 5.57978 5.51197 7.00798 12.1739 8.54584 8.4375 5.94312 6.69691 8.26896 numMergedOcc 0
27 mol 129 unq 3 iso 0 dist 8.62413 5.57978 5.51197 7.00798 12.1739 8.54584 6.93102 9.74141 8.86944 5.63254 numMergedOcc 0
28 mol 129 unq 4 iso 0 dist 6.93102 5.57978 8.86944 7.00798 5.63254 8.54584 8.62413 9.74141 5.51197 12.1739 numMergedOcc 0
29 mol 129 unq 5 iso 0 dist 6.93102 5.57978 8.86944 7.00798 5.63254 8.54584 8.4375 5.35495 6.69691 8.26896 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 9.8564 14.9183 8.69531 15.0247 7.41373 9.86662 8.91647 5.83782 9.1998 12.8086 numMergedOcc 0
31 mol 134 unq 1 iso 0 dist 9.8564 14.9183 8.69531 16.0887 10.8635 9.71307 8.91647 5.83782 9.1998 15.0225 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 7.83476 5.49497 6.64173 12.074 6.8757 7.81386 13.3652 11.196 9.01624 5.71898 numMergedOcc 0
33 mol 181 unq 1 iso 0 dist 7.83476 5.49497 6.64173 12.074 6.8757 7.81386 12.7598 10.1041 9.55105 5.83796 numMergedOcc 0
34 mol 181 unq 2 iso 0 dist 7.83476 5.49497 6.64173 9.72791 10.6474 7.63312 13.3652 11.196 9.01624 5.93724 numMergedOcc 0
35 mol 181 unq 3 iso 0 dist 7.83476 5.49497 6.64173 9.72791 10.6474 7.63312 12.7598 10.1041 9.55105 5.12833 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 8.79662 13.3218 7.48954 16.3367 9.53117 7.21333 12.091 3.58181 5.56538 6.84862 numMergedOcc 0
