0 mol 0 unq 0 iso 0 dist 7.65806 9.19007 9.64573 6.0225 9.72725 6.94943 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.65806 9.56794 6.05328 6.0225 9.72725 11.5705 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 12.8323 9.87885 8.15894 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 12.8323 9.87885 8.45544 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 7.10621 5.72491 5.44992 7.12508 6.1206 8.15894 numMergedOcc 0
5 mol 7 unq 3 iso 0 dist 7.10621 5.72491 5.44992 11.143 7.67927 11.7902 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 8.57077 9.78006 3.98483 8.69454 8.55451 9.64824 numMergedOcc 0
7 mol 9 unq 1 iso 0 dist 8.57077 9.78006 3.98483 5.84314 5.8245 7.05919 numMergedOcc 0
8 mol 16 unq 0 iso 0 dist 7.63133 6.56335 10.454 9.81307 8.43054 15.8645 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 8.86116 6.72502 6.58998 5.11636 7.95042 8.24948 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 8.86116 6.60423 5.97304 11.6226 8.09311 10.8583 numMergedOcc 0
11 mol 24 unq 2 iso 0 dist 8.86116 6.60423 5.97304 13.1949 9.05357 14.2818 numMergedOcc 0
12 mol 25 unq 0 iso 0 dist 5.04899 6.6492 9.20601 6.47509 7.05196 12.8378 numMergedOcc 0
13 mol 25 unq 1 iso 0 dist 6.03987 5.81959 8.4666 4.77954 7.99919 8.52777 numMergedOcc 0
14 mol 43 unq 0 iso 0 dist 5.73819 8.60739 5.64171 5.07458 6.66407 7.24352 numMergedOcc 0
15 mol 43 unq 1 iso 0 dist 5.73819 8.44903 5.48048 4.96926 6.75943 7.15901 numMergedOcc 0
16 mol 58 unq 0 iso 0 dist 6.64012 7.27383 6.37648 4.00553 9.08221 6.87028 numMergedOcc 0
17 mol 85 unq 0 iso 0 dist 7.95579 8.00777 5.08358 6.36397 7.7068 10.7316 numMergedOcc 0
18 mol 85 unq 1 iso 0 dist 6.19965 7.1589 5.08358 4.41789 7.7068 10.7316 numMergedOcc 0
19 mol 92 unq 0 iso 0 dist 9.33898 6.61823 6.08245 4.3481 7.06939 6.9223 numMergedOcc 0
20 mol 92 unq 1 iso 0 dist 9.33898 6.49956 6.86728 4.3481 7.06939 7.0561 numMergedOcc 0
21 mol 92 unq 2 iso 0 dist 9.64443 6.61823 7.24315 5.31547 9.36001 6.98037 numMergedOcc 0
22 mol 92 unq 3 iso 0 dist 9.64443 6.49956 12.163 5.31547 9.36001 11.0654 numMergedOcc 0
23 mol 98 unq 0 iso 0 dist 5.08437 7.26086 7.32662 3.9764 5.10496 8.75597 numMergedOcc 0
24 mol 98 unq 1 iso 0 dist 6.48948 7.26086 13.4985 3.9764 5.92242 8.75597 numMergedOcc 0
25 mol 98 unq 2 iso 0 dist 6.48948 7.26086 13.4985 7.03983 7.02507 13.4099 numMergedOcc 0
26 mol 98 unq 3 iso 0 dist 6.10456 7.26086 6.934 10.4782 7.54889 12.2279 numMergedOcc 0
27 mol 98 unq 4 iso 0 dist 6.10456 7.26086 6.934 3.9764 5.2571 8.75597 numMergedOcc 0
28 mol 109 unq 0 iso 0 dist 8.69985 5.34214 9.14441 5.00433 8.52024 9.78192 numMergedOcc 0
29 mol 112 unq 0 iso 0 dist 7.71338 6.43433 8.56707 6.95317 8.47988 4.99604 numMergedOcc 0
30 mol 112 unq 1 iso 0 dist 7.71338 6.43433 8.56707 7.57713 8.0427 10.2181 numMergedOcc 0
31 mol 115 unq 0 iso 0 dist 7.30858 5.72642 5.61704 5.03039 6.04595 8.4965 numMergedOcc 0
32 mol 115 unq 1 iso 0 dist 5.83991 5.72642 6.4497 6.01673 6.24825 10.6602 numMergedOcc 0
33 mol 115 unq 2 iso 0 dist 6.11741 5.74857 6.08806 6.07067 6.39384 10.3973 numMergedOcc 0
34 mol 115 unq 3 iso 0 dist 7.88312 5.74857 7.21418 11.835 7.69765 14.0614 numMergedOcc 0
35 mol 115 unq 4 iso 0 dist 7.88312 5.74857 7.21418 6.07067 9.42082 10.3973 numMergedOcc 0
36 mol 119 unq 0 iso 0 dist 8.73993 7.77116 3.78311 9.68677 7.64052 9.57341 numMergedOcc 0
37 mol 133 unq 0 iso 0 dist 6.29155 6.76699 5.74088 13.0405 8.77023 11.9059 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 8.94367 8.20836 9.4027 7.41373 9.33094 5.11043 numMergedOcc 0
39 mol 134 unq 1 iso 0 dist 6.49416 5.53031 8.46636 12.3479 9.33094 15.5709 numMergedOcc 0
40 mol 134 unq 2 iso 0 dist 9.86662 8.20836 5.12325 12.8086 9.1998 6.99345 numMergedOcc 0
41 mol 134 unq 3 iso 0 dist 9.86662 8.20836 5.12325 7.41373 8.69531 5.11043 numMergedOcc 0
42 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 4.78563 5.37047 13.1913 numMergedOcc 0
43 mol 143 unq 1 iso 0 dist 5.99315 7.63338 12.8872 4.78563 5.37047 10.6706 numMergedOcc 0
44 mol 143 unq 2 iso 0 dist 5.99315 9.03707 7.76364 4.78563 5.37047 10.8457 numMergedOcc 0
45 mol 143 unq 3 iso 0 dist 5.99315 7.25673 9.23795 4.78563 5.37047 8.612 numMergedOcc 0
46 mol 152 unq 0 iso 0 dist 5.87555 8.35555 5.59336 4.94983 6.70693 7.1069 numMergedOcc 0
47 mol 170 unq 0 iso 0 dist 9.76807 8.15099 7.72147 4.78249 9.51256 5.13268 numMergedOcc 0
48 mol 175 unq 0 iso 0 dist 9.29945 8.0154 4.24624 11.0361 9.63417 12.349 numMergedOcc 0
49 mol 178 unq 0 iso 0 dist 6.69288 4.92088 10.1489 6.42973 7.06025 8.25282 numMergedOcc 0
50 mol 181 unq 0 iso 0 dist 9.1374 6.51749 13.8722 12.9532 9.76212 16.2165 numMergedOcc 0
51 mol 192 unq 0 iso 0 dist 5.59424 7.24199 7.0057 9.53265 9.78634 15.493 numMergedOcc 0
52 mol 192 unq 1 iso 0 dist 5.59424 7.24199 7.0057 6.35474 5.64942 11.7494 numMergedOcc 0
53 mol 192 unq 2 iso 0 dist 5.59424 7.24199 7.0057 5.25965 7.43054 11.7133 numMergedOcc 0
54 mol 192 unq 3 iso 0 dist 7.00794 7.24199 8.51255 6.35474 6.97962 11.7494 numMergedOcc 0
55 mol 192 unq 4 iso 0 dist 7.00794 7.24199 8.51255 5.25965 6.79229 11.7133 numMergedOcc 0
56 mol 205 unq 0 iso 0 dist 6.03031 8.44861 5.28092 9.49403 6.52816 10.183 numMergedOcc 0
57 mol 205 unq 1 iso 0 dist 7.26832 5.60393 5.28092 13.514 6.52816 10.183 numMergedOcc 0
58 mol 222 unq 0 iso 0 dist 6.00706 7.862 6.42798 8.84507 6.74196 7.97027 numMergedOcc 0
59 mol 222 unq 1 iso 0 dist 6.00706 7.862 6.42798 6.02502 8.36842 4.9876 numMergedOcc 0
60 mol 222 unq 2 iso 0 dist 6.00706 7.862 6.42798 5.18677 9.75472 8.23353 numMergedOcc 0
61 mol 224 unq 0 iso 0 dist 6.61986 8.37597 4.59567 5.13732 8.08349 8.54702 numMergedOcc 0
62 mol 227 unq 0 iso 0 dist 7.22101 8.03442 10.5813 5.0317 5.23634 9.43618 numMergedOcc 0
63 mol 227 unq 1 iso 0 dist 8.65997 8.03442 7.22396 5.0317 6.91318 9.43618 numMergedOcc 0
64 mol 238 unq 0 iso 0 dist 7.31233 5.64181 7.83352 10.3162 9.12776 12.1568 numMergedOcc 0
65 mol 252 unq 0 iso 0 dist 7.19638 7.50201 7.63376 7.40852 7.15764 5.9974 numMergedOcc 0
66 mol 259 unq 0 iso 0 dist 7.46176 8.55558 5.60748 5.21606 9.63573 12.8954 numMergedOcc 0
67 mol 259 unq 1 iso 0 dist 7.46176 8.55558 5.60748 11.8896 7.66153 13.1388 numMergedOcc 0
68 mol 272 unq 0 iso 0 dist 8.48753 9.05222 6.59863 5.12237 6.44147 10.6235 numMergedOcc 0
