0 mol 0 unq 0 iso 0 dist 7.65806 9.19007 9.64573 6.91778 9.15528 14.0232 6.0225 9.72725 6.94943 12.8524 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.65806 9.56794 6.05328 6.91778 9.15528 10.1804 6.0225 9.72725 11.5705 12.8524 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 5.99972 12.0193 7.25346 12.8323 9.87885 8.15894 14.8356 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 5.99972 12.0193 10.0658 12.8323 9.87885 8.45544 14.8356 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 7.10621 5.72491 5.44992 8.72114 13.8829 10.1959 7.12508 6.1206 8.15894 11.2901 numMergedOcc 0
5 mol 7 unq 3 iso 0 dist 7.10621 5.72491 5.44992 8.72114 13.8829 10.1959 11.143 7.67927 11.7902 16.0449 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 8.57077 9.78006 3.98483 9.62394 9.5997 7.28672 8.69454 8.55451 9.64824 14.126 numMergedOcc 0
7 mol 9 unq 1 iso 0 dist 8.57077 9.78006 3.98483 9.62394 9.5997 7.28672 5.84314 5.8245 7.05919 10.9352 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 8.86116 6.72502 6.58998 8.60554 8.52463 6.99746 5.11636 7.95042 8.24948 5.80953 numMergedOcc 0
9 mol 24 unq 1 iso 0 dist 8.86116 6.72502 6.58998 8.44664 10.971 7.6844 5.11636 7.95042 8.24948 12.8213 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 8.86116 6.72502 6.58998 9.44691 13.4893 7.05541 5.11636 7.95042 8.24948 11.7489 numMergedOcc 0
11 mol 24 unq 3 iso 0 dist 8.86116 6.60423 5.97304 9.41441 14.012 11.9395 11.6226 8.09311 10.8583 19.932 numMergedOcc 0
12 mol 24 unq 4 iso 0 dist 8.86116 6.60423 5.97304 9.41441 14.012 11.9395 13.1949 9.05357 14.2818 17.7407 numMergedOcc 0
13 mol 25 unq 0 iso 0 dist 5.04899 6.6492 9.20601 7.45383 7.33728 11.7817 6.47509 7.05196 12.8378 5.20109 numMergedOcc 0
14 mol 25 unq 1 iso 0 dist 5.04899 6.6492 9.20601 9.01548 13.9331 9.12941 6.47509 7.05196 12.8378 12.506 numMergedOcc 0
15 mol 25 unq 2 iso 0 dist 6.03987 5.81959 8.4666 8.6653 5.82503 6.61233 4.77954 7.99919 8.52777 10.4755 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 9.33898 6.61823 6.08245 8.91313 17.5889 14.4996 4.3481 7.06939 6.9223 12.7637 numMergedOcc 0
17 mol 92 unq 1 iso 0 dist 9.33898 6.61823 6.08245 8.16392 10.8304 6.90324 4.3481 7.06939 6.9223 11.1106 numMergedOcc 0
18 mol 92 unq 2 iso 0 dist 9.33898 6.49956 6.86728 8.91313 17.5889 12.0757 4.3481 7.06939 7.0561 12.7637 numMergedOcc 0
19 mol 92 unq 3 iso 0 dist 9.33898 6.49956 6.86728 8.16392 10.8304 7.64508 4.3481 7.06939 7.0561 11.1106 numMergedOcc 0
20 mol 92 unq 4 iso 0 dist 9.64443 6.61823 7.24315 8.91313 13.3881 14.4996 5.31547 9.36001 6.98037 12.273 numMergedOcc 0
21 mol 92 unq 5 iso 0 dist 9.64443 6.61823 7.24315 8.16392 5.90097 6.90324 5.31547 9.36001 6.98037 10.9647 numMergedOcc 0
22 mol 92 unq 6 iso 0 dist 9.64443 6.49956 12.163 8.91313 13.3881 12.0757 5.31547 9.36001 11.0654 12.273 numMergedOcc 0
23 mol 92 unq 7 iso 0 dist 9.64443 6.49956 12.163 8.16392 5.90097 7.64508 5.31547 9.36001 11.0654 10.9647 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 5.08437 7.26086 7.32662 6.65501 4.4057 11.2092 3.9764 5.10496 8.75597 4.62494 numMergedOcc 0
25 mol 98 unq 1 iso 0 dist 6.48948 7.26086 13.4985 6.65501 7.42446 11.2092 3.9764 5.92242 8.75597 4.62494 numMergedOcc 0
26 mol 98 unq 2 iso 0 dist 6.48948 7.26086 13.4985 6.65501 7.42446 11.2092 7.03983 7.02507 13.4099 9.84743 numMergedOcc 0
27 mol 98 unq 3 iso 0 dist 6.10456 7.26086 6.934 6.65501 9.67482 11.2092 10.4782 7.54889 12.2279 8.46823 numMergedOcc 0
28 mol 98 unq 4 iso 0 dist 6.10456 7.26086 6.934 6.65501 9.67482 11.2092 3.9764 5.2571 8.75597 4.62494 numMergedOcc 0
29 mol 109 unq 0 iso 0 dist 8.69985 5.34214 9.14441 7.80523 7.74599 10.8469 5.00433 8.52024 9.78192 7.56755 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 6.29155 6.76699 5.74088 6.16242 4.54648 9.34112 13.0405 8.77023 11.9059 8.83732 numMergedOcc 0
31 mol 134 unq 0 iso 0 dist 6.49416 5.53031 8.46636 7.80532 9.87376 8.98004 12.3479 9.33094 15.5709 10.1824 numMergedOcc 0
32 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 7.78652 6.48978 15.0801 4.78563 5.37047 13.1913 5.06564 numMergedOcc 0
33 mol 143 unq 1 iso 0 dist 5.99315 8.41611 12.7056 8.91301 5.20762 15.0315 4.78563 5.37047 13.1913 7.5373 numMergedOcc 0
34 mol 143 unq 2 iso 0 dist 5.99315 7.63338 12.8872 7.78652 6.48978 11.5146 4.78563 5.37047 10.6706 5.06564 numMergedOcc 0
35 mol 143 unq 3 iso 0 dist 5.99315 7.63338 12.8872 8.91301 5.20762 13.434 4.78563 5.37047 10.6706 7.5373 numMergedOcc 0
36 mol 143 unq 4 iso 0 dist 5.99315 9.03707 7.76364 7.78652 6.48978 8.97873 4.78563 5.37047 10.8457 5.06564 numMergedOcc 0
37 mol 143 unq 5 iso 0 dist 5.99315 9.03707 7.76364 8.91301 5.20762 6.29542 4.78563 5.37047 10.8457 7.5373 numMergedOcc 0
38 mol 143 unq 6 iso 0 dist 5.99315 7.25673 9.23795 7.78652 6.48978 6.60479 4.78563 5.37047 8.612 5.06564 numMergedOcc 0
39 mol 143 unq 7 iso 0 dist 5.99315 7.25673 9.23795 8.91301 5.20762 7.54337 4.78563 5.37047 8.612 7.5373 numMergedOcc 0
40 mol 170 unq 0 iso 0 dist 9.76807 8.15099 7.72147 6.35982 4.34698 7.29587 4.78249 9.51256 5.13268 6.47164 numMergedOcc 0
41 mol 170 unq 1 iso 0 dist 9.76807 8.15099 7.72147 7.51126 5.75144 8.73585 4.78249 9.51256 5.13268 9.65126 numMergedOcc 0
42 mol 181 unq 0 iso 0 dist 9.1374 6.51749 13.8722 8.90963 8.91338 13.0913 12.9532 9.76212 16.2165 17.8171 numMergedOcc 0
43 mol 192 unq 0 iso 0 dist 5.59424 7.24199 7.0057 8.77999 8.49529 3.86183 9.53265 9.78634 15.493 15.7529 numMergedOcc 0
44 mol 192 unq 1 iso 0 dist 5.59424 7.24199 7.0057 8.77999 8.49529 3.86183 6.35474 5.64942 11.7494 13.3256 numMergedOcc 0
45 mol 192 unq 2 iso 0 dist 5.59424 7.24199 7.0057 8.77999 8.49529 3.86183 5.25965 7.43054 11.7133 13.7172 numMergedOcc 0
46 mol 192 unq 3 iso 0 dist 7.00794 7.24199 8.51255 8.77999 11.7523 3.86183 6.35474 6.97962 11.7494 13.3256 numMergedOcc 0
47 mol 192 unq 4 iso 0 dist 7.00794 7.24199 8.51255 8.77999 11.7523 3.86183 5.25965 6.79229 11.7133 13.7172 numMergedOcc 0
48 mol 205 unq 0 iso 0 dist 7.26832 5.60393 5.28092 5.44002 10.3603 8.46033 13.514 6.52816 10.183 16.7889 numMergedOcc 0
49 mol 224 unq 0 iso 0 dist 6.61986 8.37597 4.59567 9.51597 12.4692 10.1672 5.13732 8.08349 8.54702 10.7847 numMergedOcc 0
50 mol 227 unq 0 iso 0 dist 7.22101 8.03442 10.5813 7.43071 6.35849 12.8075 5.0317 5.23634 9.43618 9.18728 numMergedOcc 0
51 mol 227 unq 1 iso 0 dist 7.22101 8.03442 10.5813 5.41321 10.9607 4.59123 5.0317 5.23634 9.43618 8.91971 numMergedOcc 0
52 mol 227 unq 2 iso 0 dist 8.65997 8.03442 7.22396 7.43071 10.204 12.8075 5.0317 6.91318 9.43618 9.18728 numMergedOcc 0
53 mol 227 unq 3 iso 0 dist 8.65997 8.03442 7.22396 5.41321 9.72615 4.59123 5.0317 6.91318 9.43618 8.91971 numMergedOcc 0
54 mol 259 unq 0 iso 0 dist 7.46176 8.55558 5.60748 7.08526 8.81835 6.31909 5.21606 9.63573 12.8954 11.547 numMergedOcc 0
55 mol 259 unq 1 iso 0 dist 7.46176 8.55558 5.60748 7.08526 8.81835 6.31909 11.8896 7.66153 13.1388 14.6679 numMergedOcc 0
