0 mol 8 unq 0 iso 0 dist 9.62879 8.96553 8.4069 7.12261 9.01112 12.536 11.2076 7.17012 8.79272 8.83742 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 5.11636 7.95042 10.9819 6.72502 6.58998 6.59374 8.24948 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 7.36323 5.54419 12.3067 5.50396 7.27472 9.33482 11.9933 10.0655 14.4162 7.96195 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 5.07458 6.66407 10.0168 8.60739 5.64171 9.06158 7.24352 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 5.73819 8.93915 5.89973 5.07458 6.66407 10.9975 8.60739 5.64171 11.3891 7.24352 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 8.80331 6.20293 8.13395 5.41726 6.6263 6.75943 10.0649 7.05402 5.48048 7.15901 numMergedOcc 0
6 mol 43 unq 3 iso 0 dist 6.20293 8.80331 8.13395 5.41726 6.75943 6.6263 10.0649 5.48048 7.05402 7.15901 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 9.4099 9.55426 10.6169 8.55984 9.08221 15.6595 12.5444 6.37648 15.935 6.87028 numMergedOcc 0
8 mol 88 unq 0 iso 0 dist 9.36773 8.31336 5.57085 12.1193 7.80898 12.785 12.1018 5.31226 9.61103 8.72458 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 9.33898 9.64443 13.1316 4.3481 7.06939 12.4681 6.61823 6.08245 7.24315 6.9223 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 9.33898 9.64443 13.1316 4.3481 7.06939 12.4681 6.49956 6.86728 12.163 7.0561 numMergedOcc 0
11 mol 92 unq 2 iso 0 dist 9.64443 9.33898 13.1316 5.31547 9.36001 10.9241 6.61823 7.24315 6.08245 6.98037 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 8.03644 9.03572 16.6055 11.3215 9.3948 19.7448 18.067 14.484 26.543 7.27506 numMergedOcc 0
13 mol 95 unq 1 iso 0 dist 8.03644 8.83255 13.8105 11.3215 9.3948 19.9408 18.067 14.484 26.5656 7.27506 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 3.9764 5.10496 5.92242 7.26086 7.32662 13.4985 8.75597 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 5.08437 6.48948 9.51923 3.9764 5.10496 5.92242 12.285 12.3881 7.89505 9.18457 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 5.08437 6.10456 8.40073 3.9764 5.10496 5.2571 7.26086 7.32662 6.934 8.75597 numMergedOcc 0
17 mol 98 unq 3 iso 0 dist 5.08437 6.10456 8.40073 3.9764 5.10496 5.2571 12.285 12.3881 13.1975 9.18457 numMergedOcc 0
18 mol 98 unq 4 iso 0 dist 6.48948 5.08437 9.51923 3.9764 5.92242 5.10496 7.26086 13.4985 7.32662 8.75597 numMergedOcc 0
19 mol 98 unq 5 iso 0 dist 6.48948 5.08437 9.51923 3.9764 5.92242 5.10496 12.285 7.89505 12.3881 9.18457 numMergedOcc 0
20 mol 98 unq 6 iso 0 dist 6.48948 6.10456 9.42358 3.9764 5.92242 5.2571 7.26086 13.4985 6.934 8.75597 numMergedOcc 0
21 mol 98 unq 7 iso 0 dist 6.48948 6.10456 9.42358 3.9764 5.92242 5.2571 12.285 7.89505 13.1975 9.18457 numMergedOcc 0
22 mol 98 unq 8 iso 0 dist 6.10456 5.08437 8.40073 10.4782 7.54889 9.81956 15.6191 13.9572 14.5912 6.83746 numMergedOcc 0
23 mol 98 unq 9 iso 0 dist 6.10456 5.08437 8.40073 10.4782 7.54889 9.81956 12.285 13.1975 12.3881 9.14707 numMergedOcc 0
24 mol 98 unq 10 iso 0 dist 6.10456 5.08437 8.40073 3.9764 5.2571 5.10496 7.26086 6.934 7.32662 8.75597 numMergedOcc 0
25 mol 98 unq 11 iso 0 dist 6.10456 5.08437 8.40073 3.9764 5.2571 5.10496 12.285 13.1975 12.3881 9.18457 numMergedOcc 0
26 mol 98 unq 12 iso 0 dist 6.10456 6.48948 9.42358 10.4782 7.54889 10.8223 15.6191 13.9572 13.3956 6.83746 numMergedOcc 0
27 mol 98 unq 13 iso 0 dist 6.10456 6.48948 9.42358 10.4782 7.54889 10.8223 12.285 13.1975 7.89505 9.14707 numMergedOcc 0
28 mol 98 unq 14 iso 0 dist 6.10456 6.48948 9.42358 3.9764 5.2571 5.92242 7.26086 6.934 13.4985 8.75597 numMergedOcc 0
29 mol 98 unq 15 iso 0 dist 6.10456 6.48948 9.42358 3.9764 5.2571 5.92242 12.285 13.1975 7.89505 9.18457 numMergedOcc 0
30 mol 115 unq 0 iso 0 dist 7.30858 5.83991 10.8507 5.03039 6.04595 10.5599 5.72642 5.61704 6.4497 8.4965 numMergedOcc 0
31 mol 115 unq 1 iso 0 dist 7.30858 7.88312 11.5723 5.03039 6.04595 11.8378 5.72642 5.61704 7.3094 8.4965 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 7.41373 9.33094 8.69531 8.20836 9.4027 5.12325 5.11043 numMergedOcc 0
33 mol 134 unq 1 iso 0 dist 6.37586 9.71307 6.81259 10.8635 9.33094 8.69531 10.873 9.4027 5.12325 5.11043 numMergedOcc 0
34 mol 134 unq 2 iso 0 dist 6.49416 6.54501 5.00526 12.3479 9.33094 11.2896 13.846 9.4027 13.1292 5.11043 numMergedOcc 0
35 mol 134 unq 3 iso 0 dist 9.86662 8.94367 6.81259 12.8086 9.1998 11.0808 8.20836 5.12325 9.4027 6.99345 numMergedOcc 0
36 mol 134 unq 4 iso 0 dist 9.86662 8.94367 6.81259 7.41373 8.69531 9.33094 8.20836 5.12325 9.4027 5.11043 numMergedOcc 0
37 mol 134 unq 5 iso 0 dist 9.71307 6.37586 6.81259 15.0225 9.1998 11.0808 10.873 5.12325 9.4027 6.99345 numMergedOcc 0
38 mol 134 unq 6 iso 0 dist 9.71307 6.37586 6.81259 10.8635 8.69531 9.33094 10.873 5.12325 9.4027 5.11043 numMergedOcc 0
39 mol 152 unq 0 iso 0 dist 5.87555 8.87437 5.49936 4.94983 6.70693 10.4895 8.35555 5.59336 10.9728 7.1069 numMergedOcc 0
40 mol 152 unq 1 iso 0 dist 8.56324 6.70283 7.65448 5.39112 6.59889 6.70693 10.4911 7.2238 5.59336 7.1069 numMergedOcc 0
41 mol 152 unq 2 iso 0 dist 8.56324 7.16148 10.6875 5.39112 6.59889 10.4895 10.4911 7.2238 10.9728 7.1069 numMergedOcc 0
42 mol 152 unq 3 iso 0 dist 6.70283 8.56324 7.65448 5.39112 6.70693 6.59889 10.4911 5.59336 7.2238 7.1069 numMergedOcc 0
43 mol 152 unq 4 iso 0 dist 6.70283 7.16148 5.49936 5.39112 6.70693 10.4895 10.4911 5.59336 10.9728 7.1069 numMergedOcc 0
44 mol 152 unq 5 iso 0 dist 8.67331 8.05741 5.49936 9.67475 6.70693 10.4895 13.0858 5.59336 10.9728 7.1069 numMergedOcc 0
45 mol 178 unq 0 iso 0 dist 6.69288 6.43573 5.34677 6.42973 7.06025 10.0638 4.92088 10.1489 8.27339 8.25282 numMergedOcc 0
46 mol 178 unq 1 iso 0 dist 6.69288 7.17202 11.7381 6.42973 7.06025 13.2692 4.92088 10.1489 9.79302 8.25282 numMergedOcc 0
47 mol 178 unq 2 iso 0 dist 6.69288 8.81551 14.0703 6.42973 7.06025 15.0672 4.92088 10.1489 8.65097 8.25282 numMergedOcc 0
48 mol 224 unq 0 iso 0 dist 6.61986 9.40098 9.54151 5.13732 8.08349 11.2501 8.37597 4.59567 6.77927 8.54702 numMergedOcc 0
49 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 5.0317 5.23634 10.7855 8.03442 10.5813 10.2525 9.43618 numMergedOcc 0
50 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 5.0317 5.23634 6.91318 8.03442 10.5813 7.22396 9.43618 numMergedOcc 0
51 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 5.0317 5.23634 11.2661 8.03442 10.5813 6.10296 9.43618 numMergedOcc 0
52 mol 227 unq 3 iso 0 dist 7.22101 7.55216 12.4689 5.0317 5.23634 12.3663 8.03442 10.5813 9.69537 9.43618 numMergedOcc 0
53 mol 227 unq 4 iso 0 dist 8.65997 9.34734 7.60506 5.0317 6.91318 10.7855 8.03442 7.22396 10.2525 9.43618 numMergedOcc 0
54 mol 227 unq 5 iso 0 dist 8.65997 7.22101 5.22356 5.0317 6.91318 5.23634 8.03442 7.22396 10.5813 9.43618 numMergedOcc 0
55 mol 227 unq 6 iso 0 dist 8.65997 7.56888 9.70012 5.0317 6.91318 11.2661 8.03442 7.22396 6.10296 9.43618 numMergedOcc 0
56 mol 227 unq 7 iso 0 dist 8.65997 7.55216 12.9332 5.0317 6.91318 12.3663 8.03442 7.22396 9.69537 9.43618 numMergedOcc 0
57 mol 234 unq 0 iso 0 dist 9.45496 6.56247 5.88703 12.4252 7.81215 11.6391 18.9709 11.113 16.9258 9.08151 numMergedOcc 0
58 mol 234 unq 1 iso 0 dist 6.7625 9.36357 5.88703 5.75498 7.81215 11.6391 11.968 11.113 16.9258 9.08151 numMergedOcc 0
59 mol 238 unq 0 iso 0 dist 7.31233 6.22714 5.34096 10.3162 9.12776 8.69015 11.9624 11.0349 13.0113 6.53286 numMergedOcc 0
60 mol 252 unq 0 iso 0 dist 7.19638 8.33025 14.9102 7.40852 7.15764 13.1298 10.7615 13.9054 9.32326 9.39658 numMergedOcc 0
61 mol 252 unq 1 iso 0 dist 7.19638 8.33025 14.9102 7.40852 7.15764 13.1298 7.50201 7.63376 11.056 5.9974 numMergedOcc 0
62 mol 252 unq 2 iso 0 dist 7.19638 9.2288 11.7918 7.40852 7.15764 10.5687 10.7615 13.9054 5.72783 9.39658 numMergedOcc 0
63 mol 252 unq 3 iso 0 dist 7.19638 9.2288 11.7918 7.40852 7.15764 10.5687 7.50201 7.63376 5.23748 5.9974 numMergedOcc 0
