0 mol 7 unq 0 iso 0 dist 6.22892 7.15287 8.41585 15.5737 9.68596 14.7759 9.96415 6.88805 5.99459 10.3333 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.22805 6.96396 7.10621 13.6771 8.72114 13.8829 11.1727 7.12508 6.1206 11.2901 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 6.22805 6.96396 7.10621 13.6771 8.72114 13.8829 13.8869 11.143 7.67927 16.0449 numMergedOcc 0
3 mol 11 unq 0 iso 0 dist 6.40513 5.9863 4.61088 4.54105 5.96346 6.86684 9.33059 4.10106 6.54358 6.859 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.85331 9.20254 6.86014 10.7574 7.33768 4.32034 8.14598 5.69214 7.95042 10.8435 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.85331 9.20254 6.86014 15.2995 9.01567 8.67951 8.14598 5.69214 7.95042 10.8068 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 6.85331 9.20254 6.86014 12.8157 7.29868 8.52463 8.14598 5.69214 7.95042 5.80953 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 8.23292 12.4427 5.04899 14.4951 7.45383 7.33728 14.1443 6.47509 7.05196 5.20109 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 8.23292 12.4427 5.04899 6.39668 9.01548 13.9331 14.1443 6.47509 7.05196 12.506 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 8.26838 15.4217 8.03644 9.61054 9.49454 11.4333 18.674 11.3215 9.3948 16.0499 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 8.26838 15.4217 8.03644 9.61054 9.49454 11.4333 11.3773 5.06946 9.74607 12.4483 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 6.85677 4.99061 6.18601 5.00632 6.73586 5.13589 10.7143 4.39676 8.95212 8.67537 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 7.15203 9.71227 8.22656 5.86611 7.71248 10.6025 9.7105 6.9945 7.22643 13.0475 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 7.97208 9.52819 6.49416 15.4716 7.80532 9.87376 16.1624 12.3479 9.33094 10.1824 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 7.5984 5.11989 5.99315 11.4055 7.78652 6.48978 9.33882 4.78563 5.37047 5.06564 numMergedOcc 0
15 mol 143 unq 1 iso 0 dist 7.5984 5.11989 5.99315 9.54731 8.91301 5.20762 9.33882 4.78563 5.37047 7.5373 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.63295 12.5935 7.63312 14.1039 5.9176 5.63555 17.7213 10.6474 6.64173 8.12266 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 9.63295 12.5935 7.63312 14.1039 5.9176 5.63555 8.39573 5.93724 9.01624 10.5303 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 9.63295 12.5935 7.63312 14.1039 5.9176 5.63555 11.1521 5.12833 9.55105 9.43306 numMergedOcc 0
19 mol 181 unq 3 iso 0 dist 9.63295 12.5935 7.63312 5.39949 6.41453 7.20191 17.7213 10.6474 6.64173 12.6232 numMergedOcc 0
20 mol 181 unq 4 iso 0 dist 9.63295 12.5935 7.63312 5.39949 6.41453 7.20191 8.39573 5.93724 9.01624 5.99437 numMergedOcc 0
21 mol 181 unq 5 iso 0 dist 9.63295 12.5935 7.63312 5.39949 6.41453 7.20191 11.1521 5.12833 9.55105 8.4848 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 8.69148 9.97859 7.21333 8.56453 7.67576 7.75656 13.422 6.84862 5.56538 8.43195 numMergedOcc 0
23 mol 222 unq 1 iso 0 dist 8.69148 9.97859 7.21333 8.56453 7.67576 7.75656 15.096 9.53117 7.48954 8.23406 numMergedOcc 0
24 mol 222 unq 2 iso 0 dist 8.69148 9.97859 7.21333 13.6076 9.82371 16.0949 13.422 6.84862 5.56538 14.0832 numMergedOcc 0
25 mol 222 unq 3 iso 0 dist 8.69148 9.97859 7.21333 13.6076 9.82371 16.0949 15.096 9.53117 7.48954 14.9425 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 7.04127 4.55824 6.61986 13.4507 9.51597 12.4692 5.36326 5.13732 8.08349 10.7847 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 6.96379 10.908 8.13497 7.39099 7.98231 8.41846 15.148 8.8603 9.07743 14.6679 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 6.96379 12.7595 7.88519 7.39099 7.98231 8.81835 13.0667 7.20604 9.63573 11.547 numMergedOcc 0
29 mol 259 unq 2 iso 0 dist 6.96379 12.7595 7.88519 7.39099 7.98231 8.81835 15.148 8.8603 7.66153 14.6679 numMergedOcc 0
