0 mol 27 unq 0 iso 0 dist 7.41235 9.75252 4.77763 5.27118 3.21417 5.52651 numMergedOcc 0
1 mol 27 unq 0 iso 1 dist 7.41235 5.27118 3.21417 9.75252 4.77763 5.52651 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 9.00377 9.75252 7.38657 5.27118 4.96577 5.52651 numMergedOcc 0
3 mol 27 unq 1 iso 1 dist 9.00377 5.27118 4.96577 9.75252 7.38657 5.52651 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 9.72136 9.942 3.7765 5.92771 13.4768 14.4922 numMergedOcc 0
5 mol 46 unq 0 iso 1 dist 9.72136 5.92771 13.4768 9.942 3.7765 14.4922 numMergedOcc 0
6 mol 46 unq 1 iso 0 dist 4.61355 9.942 9.44812 5.92771 6.08836 14.4922 numMergedOcc 0
7 mol 46 unq 1 iso 1 dist 4.61355 5.92771 6.08836 9.942 9.44812 14.4922 numMergedOcc 0
8 mol 83 unq 0 iso 0 dist 6.61587 6.72584 3.31218 7.25594 5.74818 5.72008 numMergedOcc 0
9 mol 83 unq 0 iso 1 dist 6.61587 7.25594 5.74818 6.72584 3.31218 5.72008 numMergedOcc 0
10 mol 83 unq 1 iso 0 dist 8.24464 6.72584 9.11262 7.25594 9.84043 5.72008 numMergedOcc 0
11 mol 83 unq 1 iso 1 dist 8.24464 7.25594 9.84043 6.72584 9.11262 5.72008 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 6.93938 7.87345 12.3755 9.01196 5.70307 10.8895 numMergedOcc 0
13 mol 112 unq 0 iso 1 dist 6.93938 9.01196 5.70307 7.87345 12.3755 10.8895 numMergedOcc 0
14 mol 123 unq 0 iso 0 dist 8.36221 8.09329 11.5607 5.80266 3.3389 9.29446 numMergedOcc 0
15 mol 123 unq 0 iso 1 dist 8.36221 5.80266 3.3389 8.09329 11.5607 9.29446 numMergedOcc 0
16 mol 123 unq 1 iso 0 dist 8.6441 5.18305 8.42496 6.13025 11.5607 7.48549 numMergedOcc 0
17 mol 123 unq 1 iso 1 dist 8.6441 6.13025 11.5607 5.18305 8.42496 7.48549 numMergedOcc 0
18 mol 123 unq 2 iso 0 dist 8.6441 5.18305 8.42496 6.78431 3.3389 8.29136 numMergedOcc 0
19 mol 123 unq 2 iso 1 dist 8.6441 6.78431 3.3389 5.18305 8.42496 8.29136 numMergedOcc 0
20 mol 123 unq 2 iso 0 dist 8.6441 6.13025 11.5607 6.78431 3.3389 9.29446 numMergedOcc 0
21 mol 123 unq 2 iso 1 dist 8.6441 6.78431 3.3389 6.13025 11.5607 9.29446 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 8.1368 8.72521 8.92479 8.19373 9.04685 13.9042 numMergedOcc 0
23 mol 143 unq 0 iso 1 dist 8.1368 8.19373 9.04685 8.72521 8.92479 13.9042 numMergedOcc 0
24 mol 158 unq 0 iso 0 dist 6.22696 4.80508 5.09517 4.88625 6.2149 3.19759 numMergedOcc 0
25 mol 158 unq 0 iso 1 dist 6.22696 4.88625 6.2149 4.80508 5.09517 3.19759 numMergedOcc 0
26 mol 168 unq 0 iso 0 dist 4.68544 8.1953 8.60565 8.16253 5.62227 5.29906 numMergedOcc 0
27 mol 168 unq 0 iso 1 dist 4.68544 8.16253 5.62227 8.1953 8.60565 5.29906 numMergedOcc 0
28 mol 184 unq 0 iso 0 dist 9.53656 9.35481 14.4056 9.11936 15.3702 10.9743 numMergedOcc 0
29 mol 184 unq 0 iso 1 dist 9.53656 9.11936 15.3702 9.35481 14.4056 10.9743 numMergedOcc 0
30 mol 184 unq 1 iso 0 dist 9.53656 9.35481 14.4056 8.20517 9.99712 14.6266 numMergedOcc 0
31 mol 184 unq 1 iso 1 dist 9.53656 8.20517 9.99712 9.35481 14.4056 14.6266 numMergedOcc 0
32 mol 184 unq 1 iso 0 dist 9.53656 9.11936 15.3702 8.20517 9.99712 8.05894 numMergedOcc 0
33 mol 184 unq 1 iso 1 dist 9.53656 8.20517 9.99712 9.11936 15.3702 8.05894 numMergedOcc 0
34 mol 184 unq 2 iso 0 dist 7.06562 9.35481 5.54499 9.11936 6.15375 10.9743 numMergedOcc 0
35 mol 184 unq 2 iso 1 dist 7.06562 9.11936 6.15375 9.35481 5.54499 10.9743 numMergedOcc 0
36 mol 184 unq 3 iso 0 dist 7.06562 9.35481 5.54499 8.20517 9.56022 14.6266 numMergedOcc 0
37 mol 184 unq 3 iso 1 dist 7.06562 8.20517 9.56022 9.35481 5.54499 14.6266 numMergedOcc 0
38 mol 184 unq 3 iso 0 dist 7.06562 9.11936 6.15375 8.20517 9.56022 8.05894 numMergedOcc 0
39 mol 184 unq 3 iso 1 dist 7.06562 8.20517 9.56022 9.11936 6.15375 8.05894 numMergedOcc 0
40 mol 184 unq 4 iso 0 dist 8.32647 6.03505 11.1533 6.30144 3.74437 8.04915 numMergedOcc 0
41 mol 184 unq 4 iso 1 dist 8.32647 6.30144 3.74437 6.03505 11.1533 8.04915 numMergedOcc 0
42 mol 198 unq 0 iso 0 dist 9.42723 6.49746 3.70259 5.8917 5.13258 3.09303 numMergedOcc 0
43 mol 198 unq 0 iso 1 dist 9.42723 5.8917 5.13258 6.49746 3.70259 3.09303 numMergedOcc 0
