0 mol 9 unq 0 iso 0 dist 5.99711 5.55187 5.38458 5.79505 9.3523 5.93982 numMergedOcc 0
1 mol 13 unq 0 iso 0 dist 5.04036 10.6435 9.10587 6.39939 7.98679 15.0583 numMergedOcc 0
2 mol 13 unq 1 iso 0 dist 9.44958 12.1708 9.10587 14.2898 7.98679 15.0583 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.70141 12.8473 9.40479 12.1061 4.90592 6.99746 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.70141 12.8473 9.40479 6.81998 8.16324 7.05541 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 8.70141 4.36056 9.58012 12.1061 4.90592 11.8996 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 8.70141 4.36056 9.58012 6.81998 8.16324 9.15493 numMergedOcc 0
7 mol 28 unq 0 iso 0 dist 9.00593 8.01073 9.72965 13.0892 7.40415 12.67 numMergedOcc 0
8 mol 28 unq 1 iso 0 dist 9.00593 8.57321 5.63315 13.0892 7.40415 7.00226 numMergedOcc 0
9 mol 28 unq 2 iso 0 dist 9.00593 11.0203 9.8465 13.0892 7.40415 5.93722 numMergedOcc 0
10 mol 34 unq 0 iso 0 dist 7.27883 6.71712 8.63361 9.02863 6.15801 5.89577 numMergedOcc 0
11 mol 34 unq 1 iso 0 dist 7.27883 6.71712 8.63361 12.015 9.63403 6.62645 numMergedOcc 0
12 mol 34 unq 2 iso 0 dist 7.27883 6.71712 8.63361 4.1203 8.07314 6.27366 numMergedOcc 0
13 mol 53 unq 0 iso 0 dist 9.23241 5.78143 4.75776 10.4112 7.75295 5.68983 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 6.53468 12.2874 8.58543 4.79924 7.62738 15.4757 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 5.90954 7.81776 8.58543 9.80492 7.62738 15.4757 numMergedOcc 0
16 mol 90 unq 0 iso 0 dist 7.86269 7.25581 7.51138 6.66441 7.31784 8.39589 numMergedOcc 0
17 mol 90 unq 1 iso 0 dist 7.86269 11.1561 9.86843 6.66441 7.31784 6.30226 numMergedOcc 0
18 mol 90 unq 2 iso 0 dist 7.86269 11.7919 6.86146 6.66441 7.31784 7.57639 numMergedOcc 0
19 mol 90 unq 3 iso 0 dist 7.86269 9.89859 8.83296 6.66441 7.31784 4.215 numMergedOcc 0
20 mol 93 unq 0 iso 0 dist 8.42713 8.02579 5.51624 15.595 7.62611 11.4196 numMergedOcc 0
21 mol 93 unq 1 iso 0 dist 8.42713 12.3147 7.8674 15.595 7.62611 8.05783 numMergedOcc 0
22 mol 93 unq 2 iso 0 dist 8.21032 12.1011 5.51624 4.38413 7.62611 11.4196 numMergedOcc 0
23 mol 93 unq 3 iso 0 dist 8.21032 9.97789 7.8674 4.38413 7.62611 8.05783 numMergedOcc 0
24 mol 147 unq 0 iso 0 dist 6.4752 6.96543 9.23528 10.7246 7.25644 15.9875 numMergedOcc 0
25 mol 162 unq 0 iso 0 dist 8.48559 5.61836 8.53374 7.15755 7.14263 3.76192 numMergedOcc 0
26 mol 162 unq 1 iso 0 dist 8.48559 5.61836 8.53374 7.74683 8.57005 11.41 numMergedOcc 0
27 mol 163 unq 0 iso 0 dist 8.12896 12.3276 8.23605 10.595 7.8639 4.12188 numMergedOcc 0
28 mol 163 unq 1 iso 0 dist 8.88092 5.83597 8.23605 7.26899 7.8639 4.12188 numMergedOcc 0
29 mol 163 unq 2 iso 0 dist 9.3832 16.5085 7.3546 4.04072 9.79069 15.9955 numMergedOcc 0
30 mol 163 unq 3 iso 0 dist 9.3832 16.5085 7.3546 16.9342 9.27496 5.87447 numMergedOcc 0
31 mol 163 unq 4 iso 0 dist 6.0247 6.56076 7.3546 12.5525 9.79069 15.9955 numMergedOcc 0
32 mol 163 unq 5 iso 0 dist 6.0247 6.56076 7.3546 4.37572 9.27496 5.87447 numMergedOcc 0
33 mol 163 unq 6 iso 0 dist 6.40873 9.55758 7.3546 8.81556 9.79069 15.9955 numMergedOcc 0
34 mol 163 unq 7 iso 0 dist 6.40873 9.55758 7.3546 7.05786 9.27496 5.87447 numMergedOcc 0
35 mol 171 unq 0 iso 0 dist 7.68295 14.0377 9.75627 4.98945 8.1536 11.6944 numMergedOcc 0
36 mol 175 unq 0 iso 0 dist 9.08628 14.8387 7.32419 9.7676 8.05247 11.2348 numMergedOcc 0
37 mol 175 unq 1 iso 0 dist 9.08628 14.8387 7.32419 11.4159 9.71028 8.94702 numMergedOcc 0
38 mol 175 unq 2 iso 0 dist 9.08628 11.9554 8.31961 9.7676 8.05247 9.23758 numMergedOcc 0
39 mol 175 unq 3 iso 0 dist 9.08628 11.9554 8.31961 11.4159 9.71028 4.06277 numMergedOcc 0
40 mol 175 unq 4 iso 0 dist 8.35581 13.6171 7.32419 5.81984 8.05247 11.2348 numMergedOcc 0
41 mol 175 unq 5 iso 0 dist 8.35581 13.6171 7.32419 12.3602 9.71028 8.94702 numMergedOcc 0
42 mol 175 unq 6 iso 0 dist 8.35581 13.6238 8.31961 5.81984 8.05247 9.23758 numMergedOcc 0
43 mol 175 unq 7 iso 0 dist 8.35581 13.6238 8.31961 12.3602 9.71028 4.06277 numMergedOcc 0
44 mol 175 unq 8 iso 0 dist 6.72569 10.2269 7.32419 3.98834 8.05247 11.2348 numMergedOcc 0
45 mol 175 unq 9 iso 0 dist 6.72569 10.2269 7.32419 9.4225 9.71028 8.94702 numMergedOcc 0
46 mol 175 unq 10 iso 0 dist 6.72569 10.4606 8.31961 3.98834 8.05247 9.23758 numMergedOcc 0
47 mol 175 unq 11 iso 0 dist 6.72569 10.4606 8.31961 9.4225 9.71028 4.06277 numMergedOcc 0
48 mol 194 unq 0 iso 0 dist 7.47107 11.4288 5.52678 10.7677 5.68348 8.43261 numMergedOcc 0
49 mol 194 unq 1 iso 0 dist 7.47107 15.4624 9.81666 10.7677 5.68348 13.8424 numMergedOcc 0
50 mol 218 unq 0 iso 0 dist 9.6309 6.2347 9.06334 10.2441 9.32945 7.21841 numMergedOcc 0
51 mol 225 unq 0 iso 0 dist 8.28454 7.01029 6.53728 14.1101 9.23935 14.3973 numMergedOcc 0
52 mol 225 unq 1 iso 0 dist 8.28454 7.01029 6.53728 12.969 7.77552 13.923 numMergedOcc 0
53 mol 237 unq 0 iso 0 dist 8.06435 6.68355 7.63812 3.96327 5.6703 5.90415 numMergedOcc 0
54 mol 237 unq 1 iso 0 dist 8.06435 6.68355 7.63812 9.75157 8.72819 9.2471 numMergedOcc 0
55 mol 237 unq 2 iso 0 dist 9.80232 8.55836 7.31113 11.5107 6.11495 6.12402 numMergedOcc 0
56 mol 237 unq 3 iso 0 dist 9.80232 6.08522 9.84466 11.5107 6.11495 10.634 numMergedOcc 0
57 mol 258 unq 0 iso 0 dist 8.78354 6.73942 6.47194 4.17741 9.91199 8.09074 numMergedOcc 0
58 mol 264 unq 0 iso 0 dist 8.28871 5.7394 5.74568 14.7332 7.21655 11.5512 numMergedOcc 0
59 mol 264 unq 1 iso 0 dist 7.94668 6.63115 5.74568 10.3515 7.21655 11.5512 numMergedOcc 0
60 mol 286 unq 0 iso 0 dist 7.3415 7.28845 5.91064 5.38595 8.69826 7.09114 numMergedOcc 0
