0 mol 0 unq 0 iso 0 dist 8.82102 4.87624 7.65806 10.1748 6.0225 9.72725 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 7.21217 6.09254 7.10621 14.899 13.156 9.67164 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 8.47315 5.59769 4.7319 12.2105 6.86055 7.65889 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 8.33883 5.38671 5.05803 11.3479 5.01101 6.42835 numMergedOcc 0
4 mol 16 unq 2 iso 0 dist 8.33883 5.38671 5.05803 8.63347 4.65873 6.57331 numMergedOcc 0
5 mol 16 unq 3 iso 0 dist 8.33883 5.45161 6.31718 8.63347 4.65873 8.43054 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 10.1898 5.11636 7.95042 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 9.74445 10.323 8.80331 10.872 5.41726 6.6263 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 9.74445 14.445 6.20293 10.872 5.41726 6.75943 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 9.68526 8.31041 9.38498 11.4233 17.4121 9.73086 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 9.72442 11.7069 9.38498 14.3455 17.4121 9.73086 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 6.89722 10.4716 9.96396 10.1662 5.70116 9.73086 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 6.89722 5.2774 6.19304 9.71578 6.20232 8.68662 numMergedOcc 0
13 mol 73 unq 4 iso 0 dist 6.89722 5.2774 6.19304 10.1662 5.70116 7.4369 numMergedOcc 0
14 mol 73 unq 5 iso 0 dist 6.89722 13.9156 8.70481 15.9711 11.2069 5.5087 numMergedOcc 0
15 mol 73 unq 6 iso 0 dist 6.89722 13.9156 8.70481 16.9878 10.6713 6.08682 numMergedOcc 0
16 mol 73 unq 7 iso 0 dist 7.26679 8.31041 9.96396 11.4233 5.70116 9.73086 numMergedOcc 0
17 mol 73 unq 8 iso 0 dist 7.26679 5.44275 6.19304 12.3622 6.20232 8.68662 numMergedOcc 0
18 mol 73 unq 9 iso 0 dist 7.26679 5.44275 6.19304 11.4233 5.70116 7.4369 numMergedOcc 0
19 mol 73 unq 10 iso 0 dist 7.26679 11.2674 8.70481 11.9031 11.2069 5.5087 numMergedOcc 0
20 mol 73 unq 11 iso 0 dist 7.26679 11.2674 8.70481 14.3253 10.6713 6.08682 numMergedOcc 0
21 mol 73 unq 12 iso 0 dist 9.30776 8.31041 9.75218 11.4233 14.844 9.73086 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 4.98104 10.7572 7.4729 8.67475 4.46885 8.3773 numMergedOcc 0
23 mol 117 unq 0 iso 0 dist 7.70533 14.3476 7.90328 14.3548 7.20875 8.84018 numMergedOcc 0
24 mol 117 unq 1 iso 0 dist 9.85576 10.4589 7.90328 13.8641 10.5783 6.10127 numMergedOcc 0
25 mol 117 unq 2 iso 0 dist 9.85576 14.2649 7.83136 13.2718 3.55765 8.19331 numMergedOcc 0
26 mol 117 unq 3 iso 0 dist 9.85576 9.53886 7.0603 13.2718 3.55765 8.85711 numMergedOcc 0
27 mol 133 unq 0 iso 0 dist 9.4473 15.4455 8.22656 14.0779 4.88025 8.26547 numMergedOcc 0
28 mol 133 unq 1 iso 0 dist 9.4473 11.1611 6.82262 14.0779 4.88025 9.05342 numMergedOcc 0
29 mol 133 unq 2 iso 0 dist 6.11955 7.96098 6.80239 10.271 13.7612 8.77023 numMergedOcc 0
30 mol 152 unq 0 iso 0 dist 9.10619 9.66339 8.56324 10.3465 5.39112 6.59889 numMergedOcc 0
31 mol 152 unq 1 iso 0 dist 9.10619 9.66339 8.56324 8.78112 4.84714 8.9192 numMergedOcc 0
32 mol 152 unq 2 iso 0 dist 9.10619 13.9994 6.70283 10.3465 5.39112 6.70693 numMergedOcc 0
33 mol 152 unq 3 iso 0 dist 9.74498 10.7816 8.67331 16.2421 9.67475 6.70693 numMergedOcc 0
34 mol 178 unq 0 iso 0 dist 8.0974 12.2822 6.69288 6.95432 6.42973 7.06025 numMergedOcc 0
35 mol 181 unq 0 iso 0 dist 7.44191 9.60754 8.03334 11.3022 6.50233 9.76212 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 6.00053 11.1879 8.03334 12.4544 6.50233 9.76212 numMergedOcc 0
37 mol 224 unq 0 iso 0 dist 9.33771 4.91322 6.57273 11.6785 7.05804 8.79428 numMergedOcc 0
38 mol 224 unq 1 iso 0 dist 9.33771 12.979 5.78342 11.6785 7.05804 6.8692 numMergedOcc 0
39 mol 224 unq 2 iso 0 dist 7.39839 7.65225 6.65832 11.6785 5.76843 6.99769 numMergedOcc 0
40 mol 224 unq 3 iso 0 dist 7.39839 4.91322 6.60589 11.6785 5.76843 8.79428 numMergedOcc 0
41 mol 224 unq 4 iso 0 dist 7.39839 12.979 9.16166 11.6785 5.76843 6.8692 numMergedOcc 0
42 mol 227 unq 0 iso 0 dist 9.17826 14.9329 7.22101 11.1592 5.0317 5.23634 numMergedOcc 0
43 mol 227 unq 1 iso 0 dist 9.17826 13.2783 8.65997 11.1592 5.0317 6.91318 numMergedOcc 0
44 mol 227 unq 2 iso 0 dist 9.64299 7.69739 7.09863 10.3251 5.83175 5.23634 numMergedOcc 0
45 mol 229 unq 0 iso 0 dist 9.84492 11.9226 8.22528 14.7472 5.70473 7.27993 numMergedOcc 0
46 mol 234 unq 0 iso 0 dist 5.89084 6.16697 9.45496 12.4723 12.4252 7.81215 numMergedOcc 0
47 mol 234 unq 1 iso 0 dist 8.47009 6.16697 6.7625 12.4723 5.75498 7.81215 numMergedOcc 0
48 mol 236 unq 0 iso 0 dist 8.77254 5.74377 8.04248 6.92437 4.66414 8.23087 numMergedOcc 0
49 mol 238 unq 0 iso 0 dist 5.24313 12.1448 7.31233 13.7468 11.0772 9.08509 numMergedOcc 0
50 mol 239 unq 0 iso 0 dist 6.37342 5.29737 6.16342 7.69491 10.6736 6.73665 numMergedOcc 0
51 mol 248 unq 0 iso 0 dist 8.71859 4.53213 7.69895 7.90773 4.58289 9.05018 numMergedOcc 0
52 mol 252 unq 0 iso 0 dist 9.73021 5.26867 7.19638 4.54745 7.40852 7.15764 numMergedOcc 0
53 mol 259 unq 0 iso 0 dist 6.77279 5.71237 8.13497 12.5187 12.2293 9.46361 numMergedOcc 0
54 mol 259 unq 1 iso 0 dist 9.58006 5.71237 7.88519 12.5187 11.6988 9.46361 numMergedOcc 0
55 mol 259 unq 2 iso 0 dist 9.58006 11.8501 7.46176 13.565 10.067 5.85442 numMergedOcc 0
56 mol 259 unq 3 iso 0 dist 9.58006 11.8501 7.46176 12.5187 11.6988 6.95511 numMergedOcc 0
57 mol 259 unq 4 iso 0 dist 7.93997 14.8465 7.46176 10.8564 5.21606 9.63573 numMergedOcc 0
58 mol 259 unq 5 iso 0 dist 7.93997 14.8465 7.46176 19.7286 11.8896 7.66153 numMergedOcc 0
