0 mol 0 unq 0 iso 0 dist 7.20999 13.6767 9.19007 7.08361 6.91778 14.0232 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.20999 10.6033 9.56794 7.08361 6.91778 10.1804 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 7.15434 7.29541 5.72491 10.7937 8.72114 10.1959 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 4.92734 9.91124 7.3915 7.97177 8.53529 5.65816 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 9.16444 6.84888 7.05346 5.86578 7.32257 8.88528 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 8.20058 12.1567 6.72502 13.4836 8.60554 6.99746 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 8.20058 12.1567 6.72502 11.9824 8.44664 7.6844 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 8.20058 12.1567 6.72502 9.04355 9.44691 7.05541 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 6.23095 6.06832 5.81959 12.1434 8.6653 6.61233 numMergedOcc 0
9 mol 52 unq 0 iso 0 dist 5.26018 11.8848 9.66501 5.09324 6.31696 12.6605 numMergedOcc 0
10 mol 52 unq 1 iso 0 dist 7.1203 8.65709 9.66501 10.4823 6.31696 12.6605 numMergedOcc 0
11 mol 56 unq 0 iso 0 dist 8.96238 6.5705 6.77886 4.936 7.16773 8.25666 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 8.05602 14.9908 7.26086 11.0132 6.65501 11.2092 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 7.00285 10.8678 5.88354 4.81103 5.59328 8.53212 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 8.02354 13.5865 5.88354 7.22196 5.59328 8.53212 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 8.92577 9.57933 9.00544 5.48646 7.38135 5.46256 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 8.92577 7.04774 7.12017 5.48646 7.38135 9.38256 numMergedOcc 0
17 mol 100 unq 2 iso 0 dist 9.56324 6.95888 9.00544 11.0196 7.38135 5.46256 numMergedOcc 0
18 mol 100 unq 3 iso 0 dist 9.56324 10.3606 7.12017 11.0196 7.38135 9.38256 numMergedOcc 0
19 mol 109 unq 0 iso 0 dist 8.84523 9.01694 5.34214 10.8869 7.80523 10.8469 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 7.85527 8.79034 6.98934 7.21894 8.99399 8.28905 numMergedOcc 0
21 mol 119 unq 1 iso 0 dist 7.85527 5.53632 7.99623 7.21894 8.99399 4.99495 numMergedOcc 0
22 mol 119 unq 2 iso 0 dist 8.62648 8.9683 8.56342 9.25614 6.52773 6.96805 numMergedOcc 0
23 mol 119 unq 3 iso 0 dist 8.62648 8.9683 8.56342 5.53673 9.23858 13.3975 numMergedOcc 0
24 mol 119 unq 4 iso 0 dist 8.62648 5.50673 6.37542 9.25614 6.52773 4.86811 numMergedOcc 0
25 mol 119 unq 5 iso 0 dist 8.62648 5.50673 6.37542 5.53673 9.23858 8.00229 numMergedOcc 0
26 mol 124 unq 0 iso 0 dist 6.35314 4.85358 8.58188 7.64039 6.96281 5.97523 numMergedOcc 0
27 mol 131 unq 0 iso 0 dist 8.99949 14.8405 9.29384 10.5805 8.70296 10.8127 numMergedOcc 0
28 mol 131 unq 1 iso 0 dist 8.99949 14.8405 9.29384 8.98062 9.25558 11.2516 numMergedOcc 0
29 mol 134 unq 0 iso 0 dist 5.57904 5.98568 5.53031 12.4426 7.80532 8.98004 numMergedOcc 0
30 mol 141 unq 0 iso 0 dist 9.47675 7.97183 7.86572 9.00056 9.97343 5.38571 numMergedOcc 0
31 mol 159 unq 0 iso 0 dist 7.47975 9.78249 7.25742 4.02361 9.17787 10.3427 numMergedOcc 0
32 mol 159 unq 1 iso 0 dist 7.47975 9.78249 7.25742 9.90351 8.4858 7.97232 numMergedOcc 0
33 mol 171 unq 0 iso 0 dist 7.13441 6.15895 5.10618 8.99392 8.24693 6.29877 numMergedOcc 0
34 mol 171 unq 1 iso 0 dist 7.13441 6.15895 5.10618 5.68701 6.71356 5.90358 numMergedOcc 0
35 mol 195 unq 0 iso 0 dist 8.3705 9.80071 7.62942 11.3703 9.26504 6.0634 numMergedOcc 0
36 mol 205 unq 0 iso 0 dist 6.15806 6.37333 5.60393 5.07333 5.44002 8.46033 numMergedOcc 0
37 mol 210 unq 0 iso 0 dist 8.71409 3.99796 5.37446 9.069 7.10826 7.1777 numMergedOcc 0
38 mol 212 unq 0 iso 0 dist 9.47932 14.3725 6.29767 9.63106 9.74144 9.75095 numMergedOcc 0
39 mol 212 unq 1 iso 0 dist 9.47932 14.3725 6.29767 10.6561 8.69988 12.8059 numMergedOcc 0
40 mol 212 unq 2 iso 0 dist 9.47932 14.3725 6.29767 15.0782 8.55903 10.7914 numMergedOcc 0
41 mol 212 unq 3 iso 0 dist 9.47932 14.3725 6.29767 7.56072 7.15603 9.63281 numMergedOcc 0
42 mol 212 unq 4 iso 0 dist 9.47932 11.0448 8.74585 9.63106 9.74144 15.1535 numMergedOcc 0
43 mol 212 unq 5 iso 0 dist 9.47932 11.0448 8.74585 10.6561 8.69988 4.21442 numMergedOcc 0
44 mol 212 unq 6 iso 0 dist 9.47932 11.0448 8.74585 15.0782 8.55903 6.69225 numMergedOcc 0
45 mol 212 unq 7 iso 0 dist 9.47932 11.0448 8.74585 7.56072 7.15603 10.1399 numMergedOcc 0
46 mol 232 unq 0 iso 0 dist 9.95045 16.7146 7.83711 4.95971 9.05071 13.8622 numMergedOcc 0
47 mol 238 unq 0 iso 0 dist 5.67917 6.85179 6.66971 5.11183 7.57812 4.77308 numMergedOcc 0
48 mol 238 unq 1 iso 0 dist 5.67917 6.85179 6.66971 6.32646 8.69104 10.2777 numMergedOcc 0
49 mol 238 unq 2 iso 0 dist 9.38753 8.09178 5.52379 6.77421 7.10685 5.83386 numMergedOcc 0
50 mol 240 unq 0 iso 0 dist 9.68888 17.2138 9.47583 5.24149 6.68687 15.5587 numMergedOcc 0
51 mol 278 unq 0 iso 0 dist 7.58272 12.325 7.67245 4.36832 6.62841 13.537 numMergedOcc 0
