0 mol 1 unq 0 iso 0 dist 8.47429 8.93702 9.45781 5.99543 12.7552 8.56884 7.48521 10.8827 5.96833 4.50502 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.98901 9.34656 5.9201 15.0884 9.67996 6.36911 16.3136 14.3693 8.81608 6.88805 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.98901 9.34656 5.9201 6.3236 11.2754 9.36807 16.3136 14.3693 8.81608 13.156 numMergedOcc 0
3 mol 18 unq 0 iso 0 dist 9.12848 8.25905 4.49033 7.43559 11.7139 8.52106 16.1629 12.5137 9.35863 11.5747 numMergedOcc 0
4 mol 18 unq 1 iso 0 dist 9.12848 8.25905 4.49033 7.43559 11.7139 8.52106 6.82841 6.39307 5.04478 6.11048 numMergedOcc 0
5 mol 18 unq 2 iso 0 dist 9.12848 8.25905 4.49033 10.1793 9.38772 6.32451 16.1629 12.5137 9.35863 6.96996 numMergedOcc 0
6 mol 18 unq 3 iso 0 dist 9.12848 8.25905 4.49033 10.1793 9.38772 6.32451 6.82841 6.39307 5.04478 4.52259 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 9.90242 5.97065 5.88467 7.89671 14.6855 8.82012 4.18634 10.8911 5.84066 5.56139 numMergedOcc 0
8 mol 26 unq 1 iso 0 dist 9.90242 5.97065 5.88467 10.1933 10.2329 9.16962 4.18634 10.8911 5.84066 8.25132 numMergedOcc 0
9 mol 26 unq 2 iso 0 dist 9.07029 5.97065 6.66387 7.89671 14.5062 8.82012 4.18634 9.63803 5.84066 5.56139 numMergedOcc 0
10 mol 26 unq 3 iso 0 dist 9.07029 5.97065 6.66387 10.1933 6.88695 9.16962 4.18634 9.63803 5.84066 8.25132 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 6.82522 6.47401 4.41983 7.94986 8.69069 8.67367 13.573 12.7434 9.51318 10.2625 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 6.82522 6.47401 4.41983 7.94986 8.69069 8.67367 14.6933 11.5834 9.84457 10.2496 numMergedOcc 0
13 mol 126 unq 0 iso 0 dist 8.7347 6.35364 4.56139 8.50279 8.32241 7.75534 10.6053 11.2195 8.7789 5.42561 numMergedOcc 0
14 mol 126 unq 1 iso 0 dist 8.7347 6.35364 4.56139 8.50279 8.32241 7.75534 13.8413 12.9831 9.93613 10.7549 numMergedOcc 0
15 mol 126 unq 2 iso 0 dist 8.7347 6.35364 4.56139 5.68478 11.9998 9.06011 10.6053 11.2195 8.7789 7.47528 numMergedOcc 0
16 mol 126 unq 3 iso 0 dist 8.7347 6.35364 4.56139 5.68478 11.9998 9.06011 13.8413 12.9831 9.93613 11.9496 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 5.63173 9.59094 6.2062 11.0811 10.8427 7.92688 13.2035 11.9149 9.10003 14.8533 numMergedOcc 0
18 mol 197 unq 0 iso 0 dist 8.22331 6.58245 4.40086 14.8922 11.8137 8.99696 9.66766 6.0033 9.27218 17.0276 numMergedOcc 0
19 mol 233 unq 0 iso 0 dist 8.36772 5.34745 8.95188 11.2101 18.106 9.43203 6.49444 14.0278 8.24424 8.59528 numMergedOcc 0
20 mol 233 unq 1 iso 0 dist 8.36772 5.34745 8.95188 11.2101 18.106 9.43203 6.63339 14.4473 7.0942 5.43315 numMergedOcc 0
21 mol 233 unq 2 iso 0 dist 8.36772 5.34745 8.95188 11.2101 18.106 9.43203 9.86764 14.4138 6.01775 6.8325 numMergedOcc 0
22 mol 233 unq 3 iso 0 dist 8.83541 5.34745 5.19341 11.2101 11.6036 9.43203 6.49444 12.9424 8.24424 8.59528 numMergedOcc 0
23 mol 233 unq 4 iso 0 dist 8.83541 5.34745 5.19341 11.2101 11.6036 9.43203 6.63339 10.9376 7.0942 5.43315 numMergedOcc 0
24 mol 233 unq 5 iso 0 dist 8.83541 5.34745 5.19341 11.2101 11.6036 9.43203 9.86764 9.52668 6.01775 6.8325 numMergedOcc 0
25 mol 233 unq 6 iso 0 dist 7.55878 5.34745 5.3674 11.2101 12.7167 9.43203 6.49444 8.7831 8.24424 8.59528 numMergedOcc 0
26 mol 233 unq 7 iso 0 dist 7.55878 5.34745 5.3674 11.2101 12.7167 9.43203 6.63339 9.61071 7.0942 5.43315 numMergedOcc 0
27 mol 233 unq 8 iso 0 dist 7.55878 5.34745 5.3674 11.2101 12.7167 9.43203 9.86764 7.1229 6.01775 6.8325 numMergedOcc 0
28 mol 233 unq 9 iso 0 dist 4.91191 7.99897 5.3674 11.5105 12.7167 9.43203 9.1334 8.7831 8.24424 8.59528 numMergedOcc 0
29 mol 233 unq 10 iso 0 dist 4.91191 7.99897 5.3674 11.5105 12.7167 9.43203 9.81222 9.61071 7.0942 5.43315 numMergedOcc 0
30 mol 233 unq 11 iso 0 dist 4.91191 7.99897 5.3674 11.5105 12.7167 9.43203 5.17683 7.1229 6.01775 6.8325 numMergedOcc 0
31 mol 233 unq 12 iso 0 dist 7.89581 8.98366 5.19341 6.54297 11.6036 9.43203 12.3327 12.9424 8.24424 8.59528 numMergedOcc 0
32 mol 233 unq 13 iso 0 dist 7.89581 8.98366 5.19341 6.54297 11.6036 9.43203 8.89879 10.9376 7.0942 5.43315 numMergedOcc 0
33 mol 233 unq 14 iso 0 dist 7.89581 8.98366 5.19341 6.54297 11.6036 9.43203 9.7363 9.52668 6.01775 6.8325 numMergedOcc 0
34 mol 234 unq 0 iso 0 dist 5.65943 7.54327 4.21173 5.28657 7.46434 6.16063 16.363 12.6209 9.11572 13.1872 numMergedOcc 0
35 mol 235 unq 0 iso 0 dist 6.91126 9.24964 14.9183 6.70342 9.11256 9.58736 9.94369 16.5297 7.02029 13.7306 numMergedOcc 0
36 mol 235 unq 1 iso 0 dist 6.91126 9.24964 14.9183 6.38281 12.8963 9.43058 9.94369 16.5297 7.02029 7.31605 numMergedOcc 0
37 mol 235 unq 2 iso 0 dist 6.91126 9.24964 14.9183 10.6146 17.4969 8.75735 9.94369 16.5297 7.02029 4.12497 numMergedOcc 0
38 mol 235 unq 3 iso 0 dist 6.91126 9.24964 14.9183 14.8599 20.3048 6.98084 9.94369 16.5297 7.02029 8.26028 numMergedOcc 0
39 mol 235 unq 4 iso 0 dist 6.91126 9.24964 14.9183 16.2392 22.1086 7.32211 9.94369 16.5297 7.02029 10.7187 numMergedOcc 0
40 mol 235 unq 5 iso 0 dist 9.48967 9.24964 4.28284 6.70342 7.08539 9.58736 9.94369 11.0152 7.02029 13.7306 numMergedOcc 0
41 mol 235 unq 6 iso 0 dist 9.48967 9.24964 4.28284 6.38281 11.3151 9.43058 9.94369 11.0152 7.02029 7.31605 numMergedOcc 0
42 mol 235 unq 7 iso 0 dist 9.48967 9.24964 4.28284 10.6146 12.206 8.75735 9.94369 11.0152 7.02029 4.12497 numMergedOcc 0
43 mol 235 unq 8 iso 0 dist 9.48967 9.24964 4.28284 14.8599 10.3464 6.98084 9.94369 11.0152 7.02029 8.26028 numMergedOcc 0
44 mol 235 unq 9 iso 0 dist 9.48967 9.24964 4.28284 16.2392 9.4144 7.32211 9.94369 11.0152 7.02029 10.7187 numMergedOcc 0
45 mol 235 unq 10 iso 0 dist 6.43002 5.71896 4.28284 6.01036 7.08539 9.58736 7.91326 11.0152 7.02029 13.7306 numMergedOcc 0
46 mol 235 unq 11 iso 0 dist 6.43002 5.71896 4.28284 4.99641 11.3151 9.43058 7.91326 11.0152 7.02029 7.31605 numMergedOcc 0
47 mol 235 unq 12 iso 0 dist 6.43002 5.71896 4.28284 7.72505 12.206 8.75735 7.91326 11.0152 7.02029 4.12497 numMergedOcc 0
48 mol 235 unq 13 iso 0 dist 6.43002 5.71896 4.28284 12.2179 10.3464 6.98084 7.91326 11.0152 7.02029 8.26028 numMergedOcc 0
49 mol 235 unq 14 iso 0 dist 6.43002 5.71896 4.28284 11.7282 9.4144 7.32211 7.91326 11.0152 7.02029 10.7187 numMergedOcc 0
