0 mol 0 unq 0 iso 0 dist 7.65806 6.91778 9.15528 6.0225 9.72725 12.8524 9.19007 9.64573 14.0232 6.94943 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.41585 5.99972 12.0193 12.8323 9.87885 14.8356 7.88043 10.2446 7.25346 8.15894 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.41585 5.99972 12.0193 12.8323 9.87885 14.8356 8.80762 12.3097 10.0658 8.45544 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 7.10621 8.72114 13.8829 7.12508 6.1206 11.2901 5.72491 5.44992 10.1959 8.15894 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 7.10621 8.72114 13.8829 7.12508 6.1206 11.2901 9.67579 4.74523 13.9514 8.45544 numMergedOcc 0
5 mol 9 unq 0 iso 0 dist 8.57077 9.62394 9.5997 5.84314 5.8245 10.9352 9.78006 3.98483 7.28672 7.05919 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 6.86014 7.33768 4.32034 5.69214 7.95042 10.8435 10.7114 6.58998 10.025 8.24948 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 6.86014 9.01567 8.67951 5.69214 7.95042 10.8068 10.7114 6.58998 9.14963 8.24948 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 6.86014 7.29868 8.52463 5.69214 7.95042 5.80953 10.7114 6.58998 6.99746 8.24948 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 8.86116 8.60554 8.52463 5.11636 7.95042 5.80953 6.72502 6.58998 6.99746 8.24948 numMergedOcc 0
10 mol 24 unq 4 iso 0 dist 8.86116 8.44664 10.971 5.11636 7.95042 12.8213 6.72502 6.58998 7.6844 8.24948 numMergedOcc 0
11 mol 24 unq 5 iso 0 dist 8.86116 9.44691 13.4893 5.11636 7.95042 11.7489 6.72502 6.58998 7.05541 8.24948 numMergedOcc 0
12 mol 24 unq 6 iso 0 dist 7.36323 8.4051 13.2229 5.50396 7.27472 9.84204 11.9933 10.0655 11.8996 7.96195 numMergedOcc 0
13 mol 24 unq 7 iso 0 dist 7.36323 8.23446 6.38336 5.50396 7.27472 4.44526 11.9933 10.0655 9.22115 7.96195 numMergedOcc 0
14 mol 24 unq 8 iso 0 dist 7.36323 8.75662 6.7828 5.50396 7.27472 9.586 11.9933 10.0655 9.15493 7.96195 numMergedOcc 0
15 mol 43 unq 0 iso 0 dist 8.80331 8.95682 6.18002 5.41726 6.6263 10.3764 10.0649 7.05402 10.3008 7.15901 numMergedOcc 0
16 mol 43 unq 1 iso 0 dist 6.20293 8.95682 8.38399 5.41726 6.75943 10.3764 10.0649 5.48048 10.3008 7.15901 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 9.33898 8.91313 17.5889 4.3481 7.06939 12.7637 6.61823 6.08245 14.4996 6.9223 numMergedOcc 0
18 mol 92 unq 1 iso 0 dist 9.33898 8.91313 17.5889 4.3481 7.06939 12.7637 6.49956 6.86728 12.0757 7.0561 numMergedOcc 0
19 mol 92 unq 2 iso 0 dist 9.33898 8.16392 10.8304 4.3481 7.06939 11.1106 6.61823 6.08245 6.90324 6.9223 numMergedOcc 0
20 mol 92 unq 3 iso 0 dist 9.33898 8.16392 10.8304 4.3481 7.06939 11.1106 6.49956 6.86728 7.64508 7.0561 numMergedOcc 0
21 mol 92 unq 4 iso 0 dist 9.64443 8.91313 13.3881 5.31547 9.36001 12.273 6.61823 7.24315 14.4996 6.98037 numMergedOcc 0
22 mol 92 unq 5 iso 0 dist 9.64443 8.16392 5.90097 5.31547 9.36001 10.9647 6.61823 7.24315 6.90324 6.98037 numMergedOcc 0
23 mol 95 unq 0 iso 0 dist 8.03644 9.49454 11.4333 11.3215 9.3948 16.0499 18.067 14.484 20.3538 7.27506 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 7.26086 7.32662 11.2092 8.75597 numMergedOcc 0
25 mol 98 unq 1 iso 0 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 12.285 12.3881 8.26478 9.18457 numMergedOcc 0
26 mol 98 unq 2 iso 0 dist 6.48948 6.65501 7.42446 3.9764 5.92242 4.62494 7.26086 13.4985 11.2092 8.75597 numMergedOcc 0
27 mol 98 unq 3 iso 0 dist 6.48948 6.65501 7.42446 3.9764 5.92242 4.62494 12.285 7.89505 8.26478 9.18457 numMergedOcc 0
28 mol 98 unq 4 iso 0 dist 6.10456 6.65501 9.67482 10.4782 7.54889 8.46823 15.6191 13.9572 11.4207 6.83746 numMergedOcc 0
29 mol 98 unq 5 iso 0 dist 6.10456 6.65501 9.67482 10.4782 7.54889 8.46823 12.285 13.1975 8.26478 9.14707 numMergedOcc 0
30 mol 98 unq 6 iso 0 dist 6.10456 6.65501 9.67482 3.9764 5.2571 4.62494 7.26086 6.934 11.2092 8.75597 numMergedOcc 0
31 mol 98 unq 7 iso 0 dist 6.10456 6.65501 9.67482 3.9764 5.2571 4.62494 12.285 13.1975 8.26478 9.18457 numMergedOcc 0
32 mol 119 unq 0 iso 0 dist 6.18601 6.73586 5.13589 4.39676 8.95212 8.67537 12.6868 13.52 14.8901 9.57341 numMergedOcc 0
33 mol 134 unq 0 iso 0 dist 6.49416 7.80532 9.87376 12.3479 9.33094 10.1824 13.846 9.4027 14.2253 5.11043 numMergedOcc 0
34 mol 143 unq 0 iso 0 dist 5.99315 7.78652 6.48978 4.78563 5.37047 5.06564 7.25673 9.23795 6.60479 8.612 numMergedOcc 0
35 mol 143 unq 1 iso 0 dist 5.99315 8.91301 5.20762 4.78563 5.37047 7.5373 7.25673 9.23795 7.54337 8.612 numMergedOcc 0
36 mol 170 unq 0 iso 0 dist 9.76807 6.35982 4.34698 4.78249 9.51256 6.47164 8.15099 7.72147 7.29587 5.13268 numMergedOcc 0
37 mol 170 unq 1 iso 0 dist 9.76807 7.51126 5.75144 4.78249 9.51256 9.65126 8.15099 7.72147 8.73585 5.13268 numMergedOcc 0
38 mol 205 unq 0 iso 0 dist 7.26832 5.44002 10.3603 13.514 6.52816 16.7889 10.0424 5.54129 11.842 7.53395 numMergedOcc 0
39 mol 224 unq 0 iso 0 dist 6.61986 9.51597 12.4692 5.13732 8.08349 10.7847 8.37597 4.59567 10.1672 8.54702 numMergedOcc 0
40 mol 227 unq 0 iso 0 dist 7.22101 7.43071 6.35849 5.0317 5.23634 9.18728 8.03442 10.5813 12.8075 9.43618 numMergedOcc 0
41 mol 227 unq 1 iso 0 dist 7.22101 5.41321 10.9607 5.0317 5.23634 8.91971 8.03442 10.5813 4.59123 9.43618 numMergedOcc 0
42 mol 227 unq 2 iso 0 dist 8.65997 7.43071 10.204 5.0317 6.91318 9.18728 8.03442 7.22396 12.8075 9.43618 numMergedOcc 0
43 mol 227 unq 3 iso 0 dist 8.65997 5.41321 9.72615 5.0317 6.91318 8.91971 8.03442 7.22396 4.59123 9.43618 numMergedOcc 0
44 mol 227 unq 4 iso 0 dist 7.09863 6.02296 6.35849 5.83175 5.23634 9.18728 12.2278 10.5813 12.8075 9.43618 numMergedOcc 0
45 mol 239 unq 0 iso 0 dist 6.16342 8.84636 4.30299 10.6736 6.73665 10.0627 18.6283 13.1624 14.0093 8.88763 numMergedOcc 0
46 mol 239 unq 1 iso 0 dist 6.16342 8.84636 4.30299 10.6736 6.73665 10.0627 13.3923 7.34872 7.92195 6.43209 numMergedOcc 0
47 mol 239 unq 2 iso 0 dist 6.16342 8.84636 4.30299 10.6736 6.73665 10.0627 13.1682 8.9361 10.9777 8.48769 numMergedOcc 0
