0 mol 0 unq 0 iso 0 dist 7.20999 5.56011 7.65806 7.08361 6.91778 9.15528 4.21143 9.67081 8.29174 5.8463 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 6.23095 10.747 7.31767 12.1434 8.6653 5.64303 5.24477 7.03372 7.23535 10.3493 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 6.23095 11.5983 6.03987 12.1434 8.6653 5.82503 5.24477 7.03372 9.92243 10.3493 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 5.26018 12.8491 9.80098 5.09324 6.31696 11.6682 5.02333 6.22221 8.88455 5.88357 numMergedOcc 0
4 mol 52 unq 1 iso 0 dist 5.26018 10.3287 7.34143 5.09324 6.31696 6.66056 5.02333 6.22221 9.53385 5.88357 numMergedOcc 0
5 mol 52 unq 2 iso 0 dist 7.1203 5.92851 9.80098 10.4823 6.31696 11.6682 10.0938 6.22221 8.88455 5.88357 numMergedOcc 0
6 mol 52 unq 3 iso 0 dist 7.1203 6.03647 7.34143 10.4823 6.31696 6.66056 10.0938 6.22221 9.53385 5.88357 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 6.68311 8.1124 8.8178 15.1138 9.27838 15.434 4.61081 4.86198 5.21565 13.6186 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 6.68311 15.0607 9.96708 15.1138 9.27838 11.6378 4.61081 4.86198 10.7434 13.6186 numMergedOcc 0
9 mol 75 unq 0 iso 0 dist 8.2147 13.5815 7.79912 5.78327 9.81166 11.4997 11.7519 9.16597 4.74027 7.98253 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 8.05602 12.0507 5.08437 11.0132 6.65501 4.4057 12.6133 7.92856 8.29813 11.6496 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 8.05602 4.72129 6.48948 11.0132 6.65501 7.42446 12.6133 7.92856 13.2057 11.6496 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 8.05602 12.0339 6.10456 11.0132 6.65501 9.67482 12.6133 7.92856 12.7473 11.6496 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 9.08014 7.41343 5.86073 10.3234 8.8822 10.1816 6.55681 7.02367 5.37655 5.40648 numMergedOcc 0
14 mol 113 unq 1 iso 0 dist 9.08014 7.41343 5.86073 10.3234 8.8822 10.1816 11.1233 9.30832 5.46207 15.5674 numMergedOcc 0
15 mol 113 unq 2 iso 0 dist 9.08014 7.41343 5.86073 9.4626 9.66219 8.42718 6.55681 7.02367 5.37655 3.52111 numMergedOcc 0
16 mol 113 unq 3 iso 0 dist 9.08014 7.41343 5.86073 9.4626 9.66219 8.42718 11.1233 9.30832 5.46207 13.7232 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 8.99949 11.3502 6.85062 10.5805 8.70296 14.2045 7.51072 8.80895 11.6692 5.92118 numMergedOcc 0
18 mol 131 unq 1 iso 0 dist 8.99949 11.3502 6.85062 8.98062 9.25558 5.09131 7.51072 8.80895 11.6692 10.2176 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 6.15806 10.6362 7.26832 5.07333 5.44002 10.3603 8.62303 7.13783 13.3822 4.76454 numMergedOcc 0
20 mol 210 unq 0 iso 0 dist 8.71409 12.9212 6.18308 9.069 7.10826 5.87279 10.8881 6.85824 4.29623 4.73037 numMergedOcc 0
21 mol 222 unq 0 iso 0 dist 5.47561 10.6375 8.01589 10.3328 7.67576 10.3151 9.2281 5.1609 6.91863 3.98604 numMergedOcc 0
22 mol 222 unq 1 iso 0 dist 5.47561 10.6375 8.01589 15.0445 9.82371 8.52017 9.2281 5.1609 6.91863 7.99695 numMergedOcc 0
23 mol 222 unq 2 iso 0 dist 5.47561 5.39098 7.7699 10.3328 7.67576 7.81022 9.2281 5.1609 8.26703 3.98604 numMergedOcc 0
24 mol 222 unq 3 iso 0 dist 5.47561 5.39098 7.7699 15.0445 9.82371 15.7504 9.2281 5.1609 8.26703 7.99695 numMergedOcc 0
25 mol 222 unq 4 iso 0 dist 5.47561 5.60111 7.21333 10.3328 7.67576 7.75656 9.2281 5.1609 8.89157 3.98604 numMergedOcc 0
26 mol 222 unq 5 iso 0 dist 5.47561 5.60111 7.21333 15.0445 9.82371 16.0949 9.2281 5.1609 8.89157 7.99695 numMergedOcc 0
27 mol 232 unq 0 iso 0 dist 9.95045 12.5761 8.27212 4.95971 9.05071 8.80479 15.2257 8.25985 4.04428 12.159 numMergedOcc 0
28 mol 232 unq 1 iso 0 dist 9.95045 12.5761 8.27212 4.95971 9.05071 8.80479 11.1518 9.27788 4.22149 8.36223 numMergedOcc 0
29 mol 239 unq 0 iso 0 dist 8.61729 7.02319 6.16342 5.66996 8.84636 4.30299 8.18179 4.43499 4.32238 5.76503 numMergedOcc 0
