0 mol 7 unq 0 iso 0 dist 6.36911 9.68596 13.0969 13.2247 9.36807 12.9581 6.88805 8.81608 10.3333 13.156 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.82012 6.46104 4.98603 13.2136 9.16962 10.177 5.56139 5.84066 6.07276 8.25132 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 8.26899 7.21955 10.8421 7.08557 9.33535 13.2397 6.20618 7.60018 12.6602 7.00806 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 8.26899 7.21955 10.8421 7.08557 9.33535 13.2397 5.61579 7.03126 10.4354 9.53718 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 6.77912 9.27838 4.67641 5.36766 8.624 11.1896 10.0679 9.37102 11.7561 5.72408 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 6.77912 9.27838 4.67641 5.36766 8.624 11.1896 5.69391 5.4605 7.58875 3.94376 numMergedOcc 0
6 mol 72 unq 2 iso 0 dist 6.77912 9.27838 4.67641 5.36766 8.624 11.1896 4.03844 6.53824 6.91169 6.19288 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 5.87358 7.80523 6.89298 4.98336 9.20981 12.2341 6.35679 8.38791 10.5546 4.94189 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.43904 6.73586 7.39626 9.22558 6.19042 11.5311 4.39676 6.13374 8.67537 6.20019 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 6.79146 7.88805 6.08911 7.01619 7.66168 7.90048 4.66904 8.9677 11.6521 11.1455 numMergedOcc 0
10 mol 130 unq 1 iso 0 dist 6.79146 7.88805 6.08911 6.83397 6.89257 11.5527 4.66904 8.9677 11.6521 7.52422 numMergedOcc 0
11 mol 130 unq 2 iso 0 dist 7.66168 7.90048 6.08911 7.01619 6.79146 7.88805 11.1455 8.9677 11.6521 4.66904 numMergedOcc 0
12 mol 130 unq 3 iso 0 dist 7.66168 7.90048 6.08911 7.50049 6.89257 11.5527 11.1455 8.9677 11.6521 7.52422 numMergedOcc 0
13 mol 130 unq 4 iso 0 dist 7.66168 9.99802 11.562 7.01619 6.79146 15.7868 11.1455 8.9677 19.2873 4.66904 numMergedOcc 0
14 mol 130 unq 5 iso 0 dist 7.66168 9.99802 11.562 7.50049 6.89257 13.6341 11.1455 8.9677 19.2873 7.52422 numMergedOcc 0
15 mol 155 unq 0 iso 0 dist 7.39644 6.53347 6.40403 10.7616 7.36102 10.3161 7.10286 5.36254 9.24038 4.91785 numMergedOcc 0
16 mol 155 unq 1 iso 0 dist 7.36102 7.92304 5.50045 10.7616 7.39644 11.1616 4.91785 5.36254 9.16358 7.10286 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 9.52936 6.42735 7.4793 5.43299 9.15417 10.3218 13.8904 7.59939 14.4075 10.3179 numMergedOcc 0
18 mol 213 unq 0 iso 0 dist 9.59129 7.37798 12.1116 13.7995 8.45368 16.5606 10.1881 5.461 14.4091 4.72944 numMergedOcc 0
19 mol 213 unq 1 iso 0 dist 9.59129 7.73322 9.93085 13.7995 8.45368 16.3542 10.1881 5.461 11.7032 4.72944 numMergedOcc 0
20 mol 218 unq 0 iso 0 dist 7.17547 6.1951 7.21048 7.83217 7.13323 10.8165 15.6802 8.61306 14.4908 13.7327 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 6.25105 9.81425 13.0631 5.88703 7.85175 13.293 5.53885 7.36208 14.9726 3.95629 numMergedOcc 0
22 mol 235 unq 0 iso 0 dist 9.58736 9.55668 13.128 9.85037 9.43058 10.076 13.7306 7.02029 13.3153 7.31605 numMergedOcc 0
23 mol 235 unq 1 iso 0 dist 9.58736 9.55668 13.128 13.6669 8.75735 14.3922 13.7306 7.02029 13.3153 4.12497 numMergedOcc 0
24 mol 235 unq 2 iso 0 dist 9.58736 9.55668 13.128 16.4493 6.98084 18.022 13.7306 7.02029 13.3153 8.26028 numMergedOcc 0
25 mol 235 unq 3 iso 0 dist 9.58736 9.55668 13.128 15.4 7.32211 20.3456 13.7306 7.02029 13.3153 10.7187 numMergedOcc 0
26 mol 235 unq 4 iso 0 dist 9.43058 9.21736 17.5445 9.85037 9.58736 16.0017 7.31605 7.02029 13.6809 13.7306 numMergedOcc 0
27 mol 235 unq 5 iso 0 dist 9.43058 9.21736 17.5445 5.52217 8.75735 12.7671 7.31605 7.02029 13.6809 4.12497 numMergedOcc 0
28 mol 235 unq 6 iso 0 dist 9.43058 9.21736 17.5445 14.4362 6.98084 21.4563 7.31605 7.02029 13.6809 8.26028 numMergedOcc 0
29 mol 235 unq 7 iso 0 dist 9.43058 9.21736 17.5445 14.4107 7.32211 23.1793 7.31605 7.02029 13.6809 10.7187 numMergedOcc 0
30 mol 235 unq 8 iso 0 dist 6.98084 8.69356 11.921 16.4493 9.58736 19.3751 8.26028 7.02029 16.4608 13.7306 numMergedOcc 0
31 mol 235 unq 9 iso 0 dist 6.98084 8.69356 11.921 14.4362 9.43058 21.2475 8.26028 7.02029 16.4608 7.31605 numMergedOcc 0
32 mol 235 unq 10 iso 0 dist 6.98084 8.69356 11.921 11.3519 8.75735 19.1675 8.26028 7.02029 16.4608 4.12497 numMergedOcc 0
33 mol 235 unq 11 iso 0 dist 6.98084 8.69356 11.921 7.218 7.32211 10.3932 8.26028 7.02029 16.4608 10.7187 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 6.05141 8.94014 11.5793 5.6348 8.09066 7.02333 5.27215 8.69525 12.1725 6.13368 numMergedOcc 0
35 mol 238 unq 1 iso 0 dist 6.05141 8.94014 11.5793 8.87326 7.2766 8.67864 5.27215 8.69525 12.1725 10.0605 numMergedOcc 0
36 mol 238 unq 2 iso 0 dist 8.09066 7.02333 11.5793 5.6348 6.05141 8.94014 6.13368 8.69525 12.1725 5.27215 numMergedOcc 0
37 mol 238 unq 3 iso 0 dist 8.09066 7.02333 11.5793 5.31152 7.2766 8.67864 6.13368 8.69525 12.1725 10.0605 numMergedOcc 0
38 mol 238 unq 4 iso 0 dist 7.2766 8.67864 11.5793 8.87326 6.05141 8.94014 10.0605 8.69525 12.1725 5.27215 numMergedOcc 0
39 mol 238 unq 5 iso 0 dist 7.2766 8.67864 11.5793 5.31152 8.09066 7.02333 10.0605 8.69525 12.1725 6.13368 numMergedOcc 0
