0 mol 5 unq 0 iso 0 dist 7.8351 7.4332 10.4078 8.33646 13.4519 6.14476 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 9.23212 9.08736 7.28643 7.86896 4.61088 8.68293 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 9.23212 9.74528 9.68636 7.86896 4.61088 6.84216 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 4.24428 7.02693 3.85805 10.8067 8.9232 6.23522 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 4.24428 7.02693 3.85805 6.58444 5.93252 9.10566 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 4.24428 7.02693 3.85805 15.7508 13.2207 9.62027 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 6.30194 7.02693 5.17781 10.8067 10.2049 6.23522 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 6.30194 7.02693 5.17781 6.58444 11.379 9.10566 numMergedOcc 0
8 mol 73 unq 5 iso 0 dist 6.30194 7.02693 5.17781 15.7508 13.1757 9.62027 numMergedOcc 0
9 mol 73 unq 6 iso 0 dist 7.01889 8.58248 4.73407 7.9573 9.38498 6.23522 numMergedOcc 0
10 mol 73 unq 7 iso 0 dist 7.01889 8.58248 4.73407 17.249 13.1662 9.10566 numMergedOcc 0
11 mol 73 unq 8 iso 0 dist 7.01889 8.58248 4.73407 4.6248 10.2282 9.62027 numMergedOcc 0
12 mol 73 unq 9 iso 0 dist 9.89021 4.8983 10.8482 4.30874 11.1436 7.37171 numMergedOcc 0
13 mol 73 unq 10 iso 0 dist 9.89021 4.8983 10.8482 6.97502 16.8583 8.62079 numMergedOcc 0
14 mol 76 unq 0 iso 0 dist 4.83274 5.91098 3.69293 10.2219 6.97941 7.61521 numMergedOcc 0
15 mol 76 unq 1 iso 0 dist 7.89214 4.86523 3.69293 7.74851 6.97941 7.61521 numMergedOcc 0
16 mol 88 unq 0 iso 0 dist 7.76275 5.6516 6.27514 6.63027 10.3436 7.74064 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 6.30103 6.34669 9.85862 5.60777 10.2618 4.17838 numMergedOcc 0
18 mol 95 unq 0 iso 0 dist 8.26838 9.02905 4.73066 4.33346 9.03572 7.51733 numMergedOcc 0
19 mol 95 unq 1 iso 0 dist 8.26838 9.02905 4.73066 7.47119 8.83255 9.01607 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 8.35164 9.64908 6.35793 10.746 11.5121 6.87434 numMergedOcc 0
21 mol 112 unq 1 iso 0 dist 9.43616 9.64908 4.69658 10.746 7.71338 6.87434 numMergedOcc 0
22 mol 122 unq 0 iso 0 dist 9.69673 4.821 8.5619 6.28781 12.2929 4.42563 numMergedOcc 0
23 mol 124 unq 0 iso 0 dist 7.23052 8.50362 9.79481 10.3233 14.8242 8.57739 numMergedOcc 0
24 mol 143 unq 0 iso 0 dist 7.5984 5.33772 6.75249 5.11989 5.99315 8.64905 numMergedOcc 0
25 mol 175 unq 0 iso 0 dist 6.73365 8.06007 12.5746 5.52686 12.0591 9.32259 numMergedOcc 0
26 mol 175 unq 1 iso 0 dist 9.45659 8.06007 13.5565 5.52686 14.3157 9.32259 numMergedOcc 0
27 mol 175 unq 2 iso 0 dist 9.44856 8.06007 9.03819 5.52686 13.1497 9.32259 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 6.57849 8.83628 4.69695 14.3203 13.4269 9.31158 numMergedOcc 0
29 mol 206 unq 0 iso 0 dist 9.19263 5.73198 4.94346 7.20088 13.4144 9.4629 numMergedOcc 0
30 mol 214 unq 0 iso 0 dist 9.4835 9.46274 4.15355 14.5108 8.82096 9.06459 numMergedOcc 0
31 mol 228 unq 0 iso 0 dist 9.4597 6.9196 4.34361 5.85714 12.0155 9.25785 numMergedOcc 0
32 mol 228 unq 1 iso 0 dist 9.29603 6.72203 3.83677 5.79543 11.6303 9.01231 numMergedOcc 0
33 mol 253 unq 0 iso 0 dist 8.53729 6.93942 9.46115 4.75041 12.1494 5.77511 numMergedOcc 0
34 mol 253 unq 1 iso 0 dist 8.53729 6.93942 9.46115 8.65261 13.3527 9.27311 numMergedOcc 0
35 mol 253 unq 2 iso 0 dist 8.53729 9.05161 10.3603 4.75041 12.1494 7.81382 numMergedOcc 0
36 mol 253 unq 3 iso 0 dist 7.80525 9.80396 12.4657 6.27022 11.6434 8.94786 numMergedOcc 0
37 mol 253 unq 4 iso 0 dist 7.80525 6.3093 5.85692 4.84708 7.32223 9.19385 numMergedOcc 0
38 mol 253 unq 5 iso 0 dist 7.80525 6.3093 5.85692 6.27022 11.6434 9.1927 numMergedOcc 0
39 mol 253 unq 6 iso 0 dist 7.71295 9.80396 8.57513 6.27022 6.73034 8.94786 numMergedOcc 0
40 mol 253 unq 7 iso 0 dist 7.71295 6.3093 6.0222 4.84708 8.31064 9.19385 numMergedOcc 0
41 mol 253 unq 8 iso 0 dist 7.71295 6.3093 6.0222 6.27022 6.73034 9.1927 numMergedOcc 0
42 mol 253 unq 9 iso 0 dist 8.07341 9.31626 9.46115 8.62694 12.1494 5.77511 numMergedOcc 0
43 mol 253 unq 10 iso 0 dist 8.07341 9.31626 9.46115 14.0529 13.3527 9.27311 numMergedOcc 0
44 mol 253 unq 11 iso 0 dist 8.07341 9.77366 10.3603 8.62694 12.1494 7.81382 numMergedOcc 0
45 mol 274 unq 0 iso 0 dist 9.81087 8.67957 10.7853 7.23876 12.8531 8.12739 numMergedOcc 0
46 mol 277 unq 0 iso 0 dist 9.84188 4.1545 13.7583 10.4297 17.7135 7.42932 numMergedOcc 0
47 mol 277 unq 1 iso 0 dist 9.84188 4.1545 13.7583 5.77904 12.5685 4.9764 numMergedOcc 0
48 mol 277 unq 2 iso 0 dist 9.84188 4.25172 13.6433 5.77904 12.5685 6.36559 numMergedOcc 0
49 mol 277 unq 3 iso 0 dist 8.35794 4.1545 11.8607 10.4297 16.3537 7.42932 numMergedOcc 0
50 mol 277 unq 4 iso 0 dist 8.35794 4.1545 11.8607 5.77904 9.7748 4.9764 numMergedOcc 0
51 mol 277 unq 5 iso 0 dist 8.35794 4.25172 10.9137 5.77904 9.7748 6.36559 numMergedOcc 0
52 mol 287 unq 0 iso 0 dist 7.13655 8.73403 8.77521 5.10722 11.3696 9.76232 numMergedOcc 0
53 mol 288 unq 0 iso 0 dist 7.13655 8.73403 8.77521 5.10722 11.3696 9.76232 numMergedOcc 0
54 mol 289 unq 0 iso 0 dist 7.13655 8.73403 8.77521 5.10722 11.3696 9.76232 numMergedOcc 0
