0 mol 0 unq 0 iso 0 dist 7.65806 9.19007 9.64573 6.0225 9.72725 6.94943 7.02374 12.7627 7.92928 4.22598 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 12.8323 9.87885 8.15894 12.2708 10.672 9.55056 4.40641 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.41585 7.88043 10.2446 12.8323 9.87885 8.15894 6.06176 6.36911 7.45262 7.92429 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 8.41585 8.80762 12.3097 12.8323 9.87885 8.45544 12.2708 10.672 7.57354 4.40641 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 8.41585 8.80762 12.3097 12.8323 9.87885 8.45544 6.06176 6.36911 6.96586 7.92429 numMergedOcc 0
5 mol 7 unq 4 iso 0 dist 7.10621 5.72491 5.44992 7.12508 6.1206 8.15894 10.789 7.31201 9.55056 4.40641 numMergedOcc 0
6 mol 7 unq 5 iso 0 dist 7.10621 5.72491 5.44992 7.12508 6.1206 8.15894 10.515 9.36807 7.45262 7.92429 numMergedOcc 0
7 mol 7 unq 6 iso 0 dist 7.10621 5.72491 5.44992 11.143 7.67927 11.7902 10.789 7.31201 9.55056 5.03278 numMergedOcc 0
8 mol 7 unq 7 iso 0 dist 7.10621 5.72491 5.44992 11.143 7.67927 11.7902 10.515 9.36807 7.45262 11.2233 numMergedOcc 0
9 mol 9 unq 0 iso 0 dist 8.57077 9.78006 3.98483 8.69454 8.55451 9.64824 5.60154 8.47421 8.04924 5.66192 numMergedOcc 0
10 mol 9 unq 1 iso 0 dist 8.57077 9.78006 3.98483 5.84314 5.8245 7.05919 5.60154 8.47421 8.04924 3.91075 numMergedOcc 0
11 mol 16 unq 0 iso 0 dist 7.63133 6.56335 10.454 9.81307 8.43054 15.8645 6.73355 13.0191 7.40724 15.0531 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 8.86116 6.60423 5.97304 11.6226 8.09311 10.8583 5.39241 12.4274 8.62284 12.7111 numMergedOcc 0
13 mol 24 unq 1 iso 0 dist 8.86116 6.60423 5.97304 13.1949 9.05357 14.2818 5.39241 12.4274 8.62284 17.3016 numMergedOcc 0
14 mol 25 unq 0 iso 0 dist 5.04899 6.6492 9.20601 6.47509 7.05196 12.8378 4.70708 9.43699 8.5404 8.44757 numMergedOcc 0
15 mol 112 unq 0 iso 0 dist 7.71338 6.43433 8.56707 6.95317 8.47988 4.99604 6.72991 11.6597 7.82011 4.89178 numMergedOcc 0
16 mol 112 unq 1 iso 0 dist 7.71338 6.43433 8.56707 7.57713 8.0427 10.2181 6.72991 11.6597 7.82011 6.81477 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 7.30858 5.72642 5.61704 5.03039 6.04595 8.4965 11.7126 11.695 9.9928 13.2709 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 5.83991 5.72642 6.4497 6.01673 6.24825 10.6602 11.7126 13.9977 9.9928 15.7303 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 4.78563 5.37047 13.1913 5.44503 9.93541 6.40901 9.4389 numMergedOcc 0
20 mol 143 unq 1 iso 0 dist 5.99315 7.63338 12.8872 4.78563 5.37047 10.6706 6.01455 9.27292 8.1582 4.38322 numMergedOcc 0
21 mol 143 unq 2 iso 0 dist 5.99315 7.63338 12.8872 4.78563 5.37047 10.6706 5.44503 9.93541 9.40626 9.4389 numMergedOcc 0
22 mol 143 unq 3 iso 0 dist 5.99315 7.25673 9.23795 4.78563 5.37047 8.612 6.01455 9.27292 7.88655 4.38322 numMergedOcc 0
23 mol 178 unq 0 iso 0 dist 6.69288 4.92088 10.1489 6.42973 7.06025 8.25282 5.25267 10.5498 5.98771 5.88866 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 9.1374 6.51749 13.8722 12.9532 9.76212 16.2165 5.4601 10.2276 7.345 9.37649 numMergedOcc 0
25 mol 181 unq 1 iso 0 dist 9.1374 6.51749 13.8722 12.9532 9.76212 16.2165 10.0524 10.7636 9.52987 9.04392 numMergedOcc 0
26 mol 192 unq 0 iso 0 dist 5.59424 7.24199 7.0057 9.53265 9.78634 15.493 5.71262 8.36822 8.53433 10.3099 numMergedOcc 0
27 mol 192 unq 1 iso 0 dist 5.59424 7.24199 7.0057 6.35474 5.64942 11.7494 5.71262 8.36822 8.53433 10.1087 numMergedOcc 0
28 mol 192 unq 2 iso 0 dist 5.59424 7.24199 7.0057 5.25965 7.43054 11.7133 5.71262 8.36822 8.53433 10.0566 numMergedOcc 0
29 mol 192 unq 3 iso 0 dist 7.00794 7.24199 8.51255 6.35474 6.97962 11.7494 5.71262 12.1647 8.53433 10.1087 numMergedOcc 0
30 mol 192 unq 4 iso 0 dist 7.00794 7.24199 8.51255 5.25965 6.79229 11.7133 5.71262 12.1647 8.53433 10.0566 numMergedOcc 0
31 mol 205 unq 0 iso 0 dist 6.03031 8.44861 5.28092 9.49403 6.52816 10.183 8.66809 9.19704 5.42696 13.4094 numMergedOcc 0
32 mol 205 unq 1 iso 0 dist 7.26832 5.60393 5.28092 13.514 6.52816 10.183 6.23291 9.19704 5.42696 13.4094 numMergedOcc 0
33 mol 227 unq 0 iso 0 dist 7.22101 8.03442 10.5813 5.0317 5.23634 9.43618 6.43754 8.17891 7.1372 4.09934 numMergedOcc 0
34 mol 227 unq 1 iso 0 dist 8.65997 8.03442 7.22396 5.0317 6.91318 9.43618 6.43754 6.95902 7.1372 4.09934 numMergedOcc 0
35 mol 238 unq 0 iso 0 dist 7.31233 5.64181 7.83352 10.3162 9.12776 12.1568 10.4664 6.55759 8.6597 15.4844 numMergedOcc 0
36 mol 238 unq 1 iso 0 dist 7.31233 5.64181 7.83352 10.3162 9.12776 12.1568 11.2717 7.02475 7.47235 13.037 numMergedOcc 0
37 mol 238 unq 2 iso 0 dist 7.31233 5.64181 7.83352 10.3162 9.12776 12.1568 5.17471 7.19008 6.44735 6.12722 numMergedOcc 0
38 mol 238 unq 3 iso 0 dist 7.31233 5.64181 7.83352 10.3162 9.12776 12.1568 5.03393 11.3465 5.91208 12.1711 numMergedOcc 0
39 mol 259 unq 0 iso 0 dist 7.46176 8.55558 5.60748 5.21606 9.63573 12.8954 5.79468 7.48005 6.39918 9.98303 numMergedOcc 0
40 mol 259 unq 1 iso 0 dist 7.46176 8.55558 5.60748 11.8896 7.66153 13.1388 5.79468 7.48005 6.39918 14.0829 numMergedOcc 0
41 mol 272 unq 0 iso 0 dist 8.48753 9.05222 6.59863 5.12237 6.44147 10.6235 5.7074 10.597 7.35433 10.2399 numMergedOcc 0
