0 mol 8 unq 0 iso 0 dist 8.68949 9.31461 3.84732 10.8849 9.42634 11.0838 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 9.29504 7.83083 15.0188 18.269 9.6451 23.5651 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 9.29504 7.83083 15.0188 12.2819 5.8369 19.343 numMergedOcc 0
3 mol 10 unq 2 iso 0 dist 9.29504 6.90469 12.4341 18.269 9.6451 20.4959 numMergedOcc 0
4 mol 10 unq 3 iso 0 dist 9.29504 6.90469 12.4341 12.2819 5.8369 16.9984 numMergedOcc 0
5 mol 10 unq 4 iso 0 dist 9.78153 8.16906 14.8787 5.07222 7.55253 12.9969 numMergedOcc 0
6 mol 10 unq 5 iso 0 dist 9.78153 8.16906 14.8787 12.5246 8.06428 18.689 numMergedOcc 0
7 mol 30 unq 0 iso 0 dist 8.204 7.88072 3.90342 4.83638 9.11745 9.63882 numMergedOcc 0
8 mol 30 unq 1 iso 0 dist 8.204 7.88072 3.90342 5.2103 4.62145 6.87277 numMergedOcc 0
9 mol 30 unq 2 iso 0 dist 8.204 7.88072 3.90342 14.1481 9.71995 11.3258 numMergedOcc 0
10 mol 42 unq 0 iso 0 dist 5.52834 7.53194 4.62559 10.1829 9.39402 13.1561 numMergedOcc 0
11 mol 48 unq 0 iso 0 dist 9.40644 7.99434 3.85292 8.12843 7.33788 4.22002 numMergedOcc 0
12 mol 48 unq 1 iso 0 dist 9.40644 7.99434 3.85292 9.72202 9.74351 8.10774 numMergedOcc 0
13 mol 48 unq 2 iso 0 dist 9.40644 7.99434 3.85292 12.7252 7.36877 6.5241 numMergedOcc 0
14 mol 48 unq 3 iso 0 dist 5.35252 7.99434 6.44604 8.12843 8.52681 4.22002 numMergedOcc 0
15 mol 48 unq 4 iso 0 dist 5.35252 7.99434 6.44604 9.72202 9.98769 8.10774 numMergedOcc 0
16 mol 48 unq 5 iso 0 dist 9.53081 5.43913 13.4515 15.1442 7.90416 18.8458 numMergedOcc 0
17 mol 48 unq 6 iso 0 dist 9.53081 5.43913 13.4515 4.89976 9.74553 10.0937 numMergedOcc 0
18 mol 48 unq 7 iso 0 dist 9.53081 8.26877 17.6258 15.1442 7.90416 23.1493 numMergedOcc 0
19 mol 48 unq 8 iso 0 dist 9.53081 8.26877 17.6258 4.89976 9.74553 11.1156 numMergedOcc 0
20 mol 48 unq 9 iso 0 dist 5.06188 8.10222 6.4561 9.57893 9.40291 8.14245 numMergedOcc 0
21 mol 48 unq 10 iso 0 dist 5.06188 8.10222 6.4561 7.88988 7.94814 4.17933 numMergedOcc 0
22 mol 48 unq 11 iso 0 dist 5.06188 8.10222 6.4561 8.00934 9.55632 5.54893 numMergedOcc 0
23 mol 63 unq 0 iso 0 dist 6.49343 7.85738 12.6017 4.44607 6.42443 9.13228 numMergedOcc 0
24 mol 76 unq 0 iso 0 dist 7.48127 5.91098 8.58474 11.6853 9.50939 7.66068 numMergedOcc 0
25 mol 78 unq 0 iso 0 dist 6.54194 9.93747 6.87984 3.74336 6.13394 10.7823 numMergedOcc 0
26 mol 78 unq 1 iso 0 dist 6.54194 9.39265 3.63624 3.74336 6.13394 9.2057 numMergedOcc 0
27 mol 78 unq 2 iso 0 dist 9.86325 6.11101 7.86077 7.38398 7.50229 8.61143 numMergedOcc 0
28 mol 83 unq 0 iso 0 dist 7.2118 7.69755 4.48523 4.12785 5.13041 7.50925 numMergedOcc 0
29 mol 90 unq 0 iso 0 dist 9.06641 8.63446 6.65219 4.77556 7.01987 5.24346 numMergedOcc 0
30 mol 92 unq 0 iso 0 dist 7.70612 8.01266 4.51052 4.65353 9.62106 8.55237 numMergedOcc 0
31 mol 127 unq 0 iso 0 dist 5.83719 9.64136 11.1718 3.75302 8.95465 12.5142 numMergedOcc 0
32 mol 133 unq 0 iso 0 dist 5.79195 9.35049 4.63862 4.37065 8.98028 11.1269 numMergedOcc 0
33 mol 143 unq 0 iso 0 dist 5.40826 5.33772 3.66518 5.80693 9.31435 10.8164 numMergedOcc 0
34 mol 143 unq 1 iso 0 dist 5.40826 5.33772 3.66518 5.08025 6.38786 4.3855 numMergedOcc 0
35 mol 167 unq 0 iso 0 dist 7.20545 8.43955 6.87479 6.39898 7.20131 10.9057 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 6.72718 9.12589 9.57585 8.09407 8.92335 15.1018 numMergedOcc 0
37 mol 204 unq 0 iso 0 dist 9.52029 9.41594 9.47121 16.0878 8.98633 15.3367 numMergedOcc 0
38 mol 204 unq 1 iso 0 dist 9.52029 9.92651 11.8097 16.0878 8.98633 19.3267 numMergedOcc 0
39 mol 214 unq 0 iso 0 dist 4.36421 9.53899 13.6384 9.91172 9.96715 16.4793 numMergedOcc 0
40 mol 230 unq 0 iso 0 dist 9.24729 8.01593 3.86973 4.45276 9.62914 9.47092 numMergedOcc 0
41 mol 230 unq 1 iso 0 dist 9.24729 8.01593 3.86973 15.7177 9.73038 11.6163 numMergedOcc 0
42 mol 239 unq 0 iso 0 dist 8.86185 7.24545 13.8399 6.16212 9.58325 12.9371 numMergedOcc 0
43 mol 244 unq 0 iso 0 dist 7.79787 9.3491 6.88123 4.80974 9.45199 13.1336 numMergedOcc 0
44 mol 244 unq 1 iso 0 dist 7.79787 9.3491 6.88123 13.59 9.07512 14.895 numMergedOcc 0
45 mol 249 unq 0 iso 0 dist 3.67935 6.62413 4.49386 8.32339 9.04147 11.0551 numMergedOcc 0
46 mol 256 unq 0 iso 0 dist 6.45473 6.33954 5.16057 6.51471 9.49634 5.58222 numMergedOcc 0
47 mol 266 unq 0 iso 0 dist 9.0836 6.48382 7.63149 7.52317 6.39822 8.25286 numMergedOcc 0
48 mol 266 unq 1 iso 0 dist 9.0836 6.48382 7.63149 9.52953 5.36518 9.9965 numMergedOcc 0
49 mol 266 unq 2 iso 0 dist 9.62494 6.48382 4.39553 5.79323 9.90506 6.96692 numMergedOcc 0
50 mol 266 unq 3 iso 0 dist 9.62494 6.48382 4.39553 7.52317 8.61077 8.25286 numMergedOcc 0
51 mol 266 unq 4 iso 0 dist 9.62494 6.48382 4.39553 9.52953 9.11585 9.9965 numMergedOcc 0
52 mol 268 unq 0 iso 0 dist 5.94741 7.40323 6.07203 5.39453 5.49906 9.52476 numMergedOcc 0
53 mol 277 unq 0 iso 0 dist 8.15119 4.1545 9.21484 5.11865 9.07744 7.98956 numMergedOcc 0
54 mol 277 unq 1 iso 0 dist 8.15119 4.25172 10.3506 5.11865 9.07744 5.86185 numMergedOcc 0
55 mol 294 unq 0 iso 0 dist 9.22572 8.32582 7.55679 5.13965 8.83359 10.4035 numMergedOcc 0
