0 mol 76 unq 0 iso 0 dist 7.36475 5.94401 6.4551 5.66392 6.97941 8.78063 8.76407 9.49449 13.2281 6.06861 numMergedOcc 0
1 mol 131 unq 0 iso 0 dist 6.44766 11.2112 7.81337 7.69184 6.85062 11.4498 8.49634 6.91348 6.25099 6.19596 numMergedOcc 0
2 mol 131 unq 1 iso 0 dist 6.44766 11.2112 7.81337 7.69184 6.85062 11.4498 5.0492 9.51418 14.8295 6.6499 numMergedOcc 0
3 mol 155 unq 0 iso 0 dist 9.56095 10.1632 6.7973 6.64179 6.23493 5.01118 12.9022 7.16254 5.10076 6.3845 numMergedOcc 0
4 mol 155 unq 1 iso 0 dist 9.56095 10.1632 6.7973 6.64179 6.23493 5.01118 10.5066 9.86313 9.64056 5.86939 numMergedOcc 0
5 mol 214 unq 0 iso 0 dist 9.33638 16.7561 9.51764 15.9383 9.65138 6.28065 11.401 6.97182 6.09245 6.16485 numMergedOcc 0
6 mol 214 unq 1 iso 0 dist 9.33638 16.7561 9.51764 15.9383 9.65138 6.28065 6.39677 6.1175 10.8345 11.5712 numMergedOcc 0
7 mol 214 unq 2 iso 0 dist 9.33638 16.7561 9.51764 7.31241 7.14453 11.2159 11.401 6.97182 6.09245 5.33565 numMergedOcc 0
8 mol 214 unq 3 iso 0 dist 9.33638 16.7561 9.51764 7.31241 7.14453 11.2159 6.39677 6.1175 10.8345 5.06792 numMergedOcc 0
9 mol 214 unq 4 iso 0 dist 9.33638 16.7561 9.51764 17.0758 8.85478 6.53326 11.401 6.97182 6.09245 8.47007 numMergedOcc 0
10 mol 214 unq 5 iso 0 dist 9.33638 16.7561 9.51764 17.0758 8.85478 6.53326 6.39677 6.1175 10.8345 12.8334 numMergedOcc 0
11 mol 214 unq 6 iso 0 dist 9.33638 5.24733 5.36829 15.9383 9.65138 11.7583 11.401 6.97182 8.69149 6.16485 numMergedOcc 0
12 mol 214 unq 7 iso 0 dist 9.33638 5.24733 5.36829 15.9383 9.65138 11.7583 6.39677 6.1175 6.00706 11.5712 numMergedOcc 0
13 mol 214 unq 8 iso 0 dist 9.33638 5.24733 5.36829 7.31241 7.14453 4.98764 11.401 6.97182 8.69149 5.33565 numMergedOcc 0
14 mol 214 unq 9 iso 0 dist 9.33638 5.24733 5.36829 7.31241 7.14453 4.98764 6.39677 6.1175 6.00706 5.06792 numMergedOcc 0
15 mol 214 unq 10 iso 0 dist 9.33638 5.24733 5.36829 17.0758 8.85478 12.3481 11.401 6.97182 8.69149 8.47007 numMergedOcc 0
16 mol 214 unq 11 iso 0 dist 9.33638 5.24733 5.36829 17.0758 8.85478 12.3481 6.39677 6.1175 6.00706 12.8334 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 5.07968 6.85536 7.16386 4.58603 9.41367 9.02283 6.32132 7.61951 3.90017 7.08796 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 8.81925 9.27187 9.55777 9.75789 8.01589 6.54251 4.95108 6.82208 5.78005 4.8892 numMergedOcc 0
19 mol 222 unq 1 iso 0 dist 8.81925 9.27187 9.55777 12.7799 7.7699 15.3892 4.95108 6.82208 5.78005 11.0074 numMergedOcc 0
20 mol 222 unq 2 iso 0 dist 8.81925 9.27187 9.55777 12.5625 7.21333 16.4881 4.95108 6.82208 5.78005 12.2813 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 7.17987 14.3029 7.86368 14.7629 9.45496 12.0816 5.04225 9.5707 16.9465 15.9563 numMergedOcc 0
22 mol 234 unq 1 iso 0 dist 7.17987 14.3029 7.86368 14.7629 9.45496 12.0816 6.99882 7.85175 15.442 11.216 numMergedOcc 0
23 mol 234 unq 2 iso 0 dist 7.17987 14.3029 7.86368 13.5847 6.7625 6.94762 5.04225 9.5707 16.9465 14.4106 numMergedOcc 0
24 mol 234 unq 3 iso 0 dist 7.17987 14.3029 7.86368 13.5847 6.7625 6.94762 6.99882 7.85175 15.442 11.4315 numMergedOcc 0
25 mol 236 unq 0 iso 0 dist 6.0087 13.2917 8.90987 11.2678 8.03456 5.26654 9.3775 7.17676 14.3961 11.8759 numMergedOcc 0
26 mol 236 unq 1 iso 0 dist 6.0087 13.2917 8.90987 11.2678 8.03456 5.26654 4.59056 6.68463 12.7435 9.07822 numMergedOcc 0
27 mol 236 unq 2 iso 0 dist 6.0087 13.2917 8.90987 12.338 6.84306 3.82437 9.3775 7.17676 14.3961 11.3552 numMergedOcc 0
28 mol 236 unq 3 iso 0 dist 6.0087 13.2917 8.90987 12.338 6.84306 3.82437 4.59056 6.68463 12.7435 11.6837 numMergedOcc 0
29 mol 236 unq 4 iso 0 dist 6.0087 13.2917 8.90987 12.431 9.99038 13.8124 9.3775 7.17676 14.3961 6.04825 numMergedOcc 0
30 mol 236 unq 5 iso 0 dist 6.0087 13.2917 8.90987 12.431 9.99038 13.8124 4.59056 6.68463 12.7435 8.8265 numMergedOcc 0
31 mol 236 unq 6 iso 0 dist 6.0087 13.2917 8.90987 8.71933 9.78037 11.2846 9.3775 7.17676 14.3961 12.6468 numMergedOcc 0
32 mol 236 unq 7 iso 0 dist 6.0087 13.2917 8.90987 8.71933 9.78037 11.2846 4.59056 6.68463 12.7435 5.80136 numMergedOcc 0
33 mol 236 unq 8 iso 0 dist 6.0087 13.2917 8.90987 5.81354 8.35971 16.8883 9.3775 7.17676 14.3961 6.40312 numMergedOcc 0
34 mol 236 unq 9 iso 0 dist 6.0087 13.2917 8.90987 5.81354 8.35971 16.8883 4.59056 6.68463 12.7435 6.2568 numMergedOcc 0
35 mol 238 unq 0 iso 0 dist 9.94587 5.6925 6.24928 4.3284 6.57393 5.33567 12.3467 6.91569 6.66018 10.9761 numMergedOcc 0
36 mol 249 unq 0 iso 0 dist 9.14351 8.05633 6.37672 12.1004 7.57994 9.07501 9.45521 8.83735 10.4294 5.23473 numMergedOcc 0
37 mol 249 unq 1 iso 0 dist 9.14351 8.05633 6.37672 9.40115 6.18582 4.24014 9.45521 8.83735 10.4294 7.38675 numMergedOcc 0
38 mol 249 unq 2 iso 0 dist 9.14351 6.09778 8.94023 12.1004 7.57994 9.53929 9.45521 8.83735 9.10124 5.23473 numMergedOcc 0
39 mol 249 unq 3 iso 0 dist 9.14351 6.09778 8.94023 9.40115 6.18582 5.36989 9.45521 8.83735 9.10124 7.38675 numMergedOcc 0
40 mol 253 unq 0 iso 0 dist 9.75753 12.1288 5.89502 15.0268 9.02271 9.25001 12.2787 7.19465 11.889 7.92528 numMergedOcc 0
41 mol 253 unq 1 iso 0 dist 9.75753 15.7857 7.15815 15.0268 9.02271 4.93871 12.2787 7.19465 8.75798 7.92528 numMergedOcc 0
42 mol 277 unq 0 iso 0 dist 6.86014 11.7966 9.29635 4.83355 9.7748 10.8075 6.60083 9.41725 13.8592 6.58374 numMergedOcc 0
43 mol 277 unq 1 iso 0 dist 5.97073 7.00586 9.29635 11.2857 9.7748 10.8075 10.5543 9.41725 13.8592 6.58374 numMergedOcc 0
44 mol 277 unq 2 iso 0 dist 6.49176 7.86614 9.29635 14.4976 9.7748 10.8075 14.6973 9.41725 13.8592 6.58374 numMergedOcc 0
