0 mol 1 unq 0 iso 0 dist 9.40282 8.93702 5.11735 5.99543 10.488 8.56884 7.48521 6.86701 5.96833 4.50502 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.35554 8.93702 9.01967 5.99543 9.00903 8.56884 7.48521 10.8992 5.96833 4.50502 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 9.2978 8.25905 5.01478 7.43559 11.1019 8.52106 16.1629 12.3718 9.35863 11.5747 numMergedOcc 0
3 mol 18 unq 1 iso 0 dist 9.2978 8.25905 5.01478 7.43559 11.1019 8.52106 6.82841 9.45949 5.04478 6.11048 numMergedOcc 0
4 mol 18 unq 2 iso 0 dist 9.2978 8.25905 5.01478 10.1793 10.5792 6.32451 16.1629 12.3718 9.35863 6.96996 numMergedOcc 0
5 mol 18 unq 3 iso 0 dist 9.2978 8.25905 5.01478 10.1793 10.5792 6.32451 6.82841 9.45949 5.04478 4.52259 numMergedOcc 0
6 mol 18 unq 4 iso 0 dist 7.37356 8.25905 7.04695 7.43559 11.103 8.52106 16.1629 14.8965 9.35863 11.5747 numMergedOcc 0
7 mol 18 unq 5 iso 0 dist 7.37356 8.25905 7.04695 7.43559 11.103 8.52106 6.82841 5.65084 5.04478 6.11048 numMergedOcc 0
8 mol 18 unq 6 iso 0 dist 7.37356 8.25905 7.04695 10.1793 9.94539 6.32451 16.1629 14.8965 9.35863 6.96996 numMergedOcc 0
9 mol 18 unq 7 iso 0 dist 7.37356 8.25905 7.04695 10.1793 9.94539 6.32451 6.82841 5.65084 5.04478 4.52259 numMergedOcc 0
10 mol 20 unq 0 iso 0 dist 9.44151 8.71628 12.5816 6.98731 14.0449 6.4934 5.06894 13.0023 5.9809 5.48225 numMergedOcc 0
11 mol 20 unq 1 iso 0 dist 9.44151 8.71628 12.5816 6.98731 14.0449 6.4934 9.95303 15.8564 5.83917 9.03258 numMergedOcc 0
12 mol 20 unq 2 iso 0 dist 9.44151 8.71628 12.5816 12.0498 18.6102 6.93199 5.06894 13.0023 5.9809 7.06175 numMergedOcc 0
13 mol 20 unq 3 iso 0 dist 9.44151 8.71628 12.5816 12.0498 18.6102 6.93199 9.95303 15.8564 5.83917 3.79581 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 8.07365 6.47401 8.73564 7.94986 12.5309 8.67367 13.573 17.8735 9.51318 10.2625 numMergedOcc 0
15 mol 95 unq 1 iso 0 dist 8.07365 6.47401 8.73564 7.94986 12.5309 8.67367 14.6933 16.9023 9.84457 10.2496 numMergedOcc 0
16 mol 113 unq 0 iso 0 dist 7.2443 8.94447 8.69934 12.7099 15.0169 6.81812 11.2557 11.6298 5.29949 8.50705 numMergedOcc 0
17 mol 126 unq 0 iso 0 dist 7.02525 6.35364 5.15767 8.50279 12.1603 7.75534 10.6053 12.0971 8.7789 5.42561 numMergedOcc 0
18 mol 126 unq 1 iso 0 dist 7.02525 6.35364 5.15767 8.50279 12.1603 7.75534 13.8413 11.8923 9.93613 10.7549 numMergedOcc 0
19 mol 126 unq 2 iso 0 dist 7.02525 6.35364 5.15767 5.68478 10.4642 9.06011 10.6053 12.0971 8.7789 7.47528 numMergedOcc 0
20 mol 126 unq 3 iso 0 dist 7.02525 6.35364 5.15767 5.68478 10.4642 9.06011 13.8413 11.8923 9.93613 11.9496 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 8.95433 9.59094 4.68409 11.0811 7.11802 7.92688 13.2035 13.5288 9.10003 14.8533 numMergedOcc 0
22 mol 197 unq 0 iso 0 dist 6.18446 6.58245 5.2908 14.8922 11.6759 8.99696 9.66766 9.10817 9.27218 17.0276 numMergedOcc 0
23 mol 197 unq 1 iso 0 dist 9.96544 6.58245 6.23998 14.8922 11.3819 8.99696 9.66766 6.86828 9.27218 17.0276 numMergedOcc 0
24 mol 218 unq 0 iso 0 dist 9.79816 7.89694 11.0503 7.82717 12.8943 9.50586 6.27279 9.24601 9.59426 13.7327 numMergedOcc 0
25 mol 218 unq 1 iso 0 dist 9.79816 5.66171 7.47048 12.0404 10.9501 7.17547 6.27279 9.24601 8.61306 15.6802 numMergedOcc 0
26 mol 218 unq 2 iso 0 dist 9.79816 5.66171 7.47048 7.82717 12.8943 7.13323 6.27279 9.24601 8.61306 13.7327 numMergedOcc 0
27 mol 233 unq 0 iso 0 dist 6.48196 7.99897 8.96098 11.5105 15.159 9.43203 9.1334 14.3009 8.24424 8.59528 numMergedOcc 0
28 mol 233 unq 1 iso 0 dist 6.48196 7.99897 8.96098 11.5105 15.159 9.43203 9.81222 14.2 7.0942 5.43315 numMergedOcc 0
29 mol 233 unq 2 iso 0 dist 6.48196 7.99897 8.96098 11.5105 15.159 9.43203 5.17683 8.51625 6.01775 6.8325 numMergedOcc 0
30 mol 235 unq 0 iso 0 dist 6.45574 9.24964 9.66021 6.70342 5.4638 9.58736 9.94369 13.8176 7.02029 13.7306 numMergedOcc 0
31 mol 235 unq 1 iso 0 dist 6.45574 9.24964 9.66021 6.38281 11.9862 9.43058 9.94369 13.8176 7.02029 7.31605 numMergedOcc 0
32 mol 235 unq 2 iso 0 dist 6.45574 9.24964 9.66021 10.6146 15.2592 8.75735 9.94369 13.8176 7.02029 4.12497 numMergedOcc 0
33 mol 235 unq 3 iso 0 dist 6.45574 9.24964 9.66021 14.8599 15.3051 6.98084 9.94369 13.8176 7.02029 8.26028 numMergedOcc 0
34 mol 235 unq 4 iso 0 dist 6.45574 9.24964 9.66021 16.2392 16.4776 7.32211 9.94369 13.8176 7.02029 10.7187 numMergedOcc 0
35 mol 235 unq 5 iso 0 dist 8.14407 5.71896 9.66021 6.01036 5.4638 9.58736 7.91326 13.8176 7.02029 13.7306 numMergedOcc 0
36 mol 235 unq 6 iso 0 dist 8.14407 5.71896 9.66021 4.99641 11.9862 9.43058 7.91326 13.8176 7.02029 7.31605 numMergedOcc 0
37 mol 235 unq 7 iso 0 dist 8.14407 5.71896 9.66021 7.72505 15.2592 8.75735 7.91326 13.8176 7.02029 4.12497 numMergedOcc 0
38 mol 235 unq 8 iso 0 dist 8.14407 5.71896 9.66021 12.2179 15.3051 6.98084 7.91326 13.8176 7.02029 8.26028 numMergedOcc 0
39 mol 235 unq 9 iso 0 dist 8.14407 5.71896 9.66021 11.7282 16.4776 7.32211 7.91326 13.8176 7.02029 10.7187 numMergedOcc 0
40 mol 267 unq 0 iso 0 dist 7.94474 6.87713 7.11419 11.9598 15.5427 8.76007 5.30771 9.33497 6.32877 11.5903 numMergedOcc 0
41 mol 267 unq 1 iso 0 dist 7.94474 6.87713 7.11419 11.9598 15.5427 8.76007 7.81198 14.4164 9.48115 9.15724 numMergedOcc 0
42 mol 267 unq 2 iso 0 dist 7.94474 6.87713 7.11419 11.9598 15.5427 8.76007 14.1912 15.0638 8.38545 5.65969 numMergedOcc 0
43 mol 267 unq 3 iso 0 dist 7.94474 6.87713 7.11419 11.9598 15.5427 8.76007 10.6273 8.8293 5.08174 9.22276 numMergedOcc 0
44 mol 267 unq 4 iso 0 dist 7.94474 6.87713 7.11419 11.9598 15.5427 8.76007 11.0675 11.5802 6.10838 6.06209 numMergedOcc 0
45 mol 274 unq 0 iso 0 dist 9.13226 8.38395 6.68358 6.45522 11.3168 9.19234 11.3961 12.8334 6.66172 8.87855 numMergedOcc 0
