0 mol 19 unq 0 iso 0 dist 4.54938 6.864 5.80928 7.20519 7.34551 7.07775 8.78293 10.9543 11.4401 5.31524 7.67038 8.4674 4.51865 10.4091 13.4721 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 6.864 4.54938 5.80928 7.20519 7.07775 7.34551 8.78293 11.4401 10.9543 5.31524 7.67038 4.51865 8.4674 10.4091 13.4721 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 4.54938 6.864 5.80928 7.20519 7.34551 7.07775 8.23643 6.55187 12.3093 11.0832 7.67038 8.4674 4.51865 10.4091 14.6255 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 6.864 4.54938 5.80928 7.20519 7.07775 7.34551 8.23643 12.3093 6.55187 11.0832 7.67038 4.51865 8.4674 10.4091 14.6255 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 4.54938 6.864 5.80928 7.20519 7.34551 7.07775 7.82528 5.14627 4.69858 10.4988 7.67038 8.4674 4.51865 10.4091 6.20943 numMergedOcc 0
5 mol 19 unq 2 iso 1 dist 6.864 4.54938 5.80928 7.20519 7.07775 7.34551 7.82528 4.69858 5.14627 10.4988 7.67038 4.51865 8.4674 10.4091 6.20943 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 7.47541 7.66905 5.42586 5.73196 6.87425 10.1164 7.22293 7.98917 11.6116 6.47779 6.9948 7.97049 6.19965 11.2656 9.47876 numMergedOcc 0
7 mol 85 unq 0 iso 1 dist 7.66905 7.47541 5.42586 5.73196 10.1164 6.87425 7.22293 11.6116 7.98917 6.47779 6.9948 6.19965 7.97049 11.2656 9.47876 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 9.60661 9.35224 7.80879 7.17106 11.5403 8.87654 6.58204 10.9608 5.69137 5.01145 5.88134 6.65086 6.56369 10.5134 7.75343 numMergedOcc 0
9 mol 100 unq 0 iso 1 dist 9.35224 9.60661 7.80879 7.17106 8.87654 11.5403 6.58204 5.69137 10.9608 5.01145 5.88134 6.56369 6.65086 10.5134 7.75343 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 6.65086 6.56369 7.80879 7.47343 8.8807 12.6515 7.75343 10.9608 5.69137 15.209 5.88134 9.60661 9.35224 12.0662 6.58204 numMergedOcc 0
11 mol 100 unq 1 iso 1 dist 6.56369 6.65086 7.80879 7.47343 12.6515 8.8807 7.75343 5.69137 10.9608 15.209 5.88134 9.35224 9.60661 12.0662 6.58204 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 6.65086 6.56369 7.80879 9.30209 5.38414 6.39938 7.75343 10.9608 5.69137 9.21622 5.88134 9.60661 9.35224 10.5853 6.58204 numMergedOcc 0
13 mol 100 unq 2 iso 1 dist 6.56369 6.65086 7.80879 9.30209 6.39938 5.38414 7.75343 5.69137 10.9608 9.21622 5.88134 9.35224 9.60661 10.5853 6.58204 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 5.83991 7.88312 8.02349 7.30858 10.8507 11.5723 8.66155 6.09023 4.61908 11.3902 7.69052 9.33865 6.11741 13.8473 9.66954 numMergedOcc 0
15 mol 115 unq 0 iso 1 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 8.66155 4.61908 6.09023 11.3902 7.69052 6.11741 9.33865 13.8473 9.66954 numMergedOcc 0
16 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 8.96657 11.1395 5.92693 7.15475 9.49653 7.53854 10.3477 5.32922 5.31024 7.26382 11.0824 9.07935 numMergedOcc 0
17 mol 142 unq 0 iso 1 dist 7.73169 9.2313 5.50998 8.96657 5.92693 11.1395 7.15475 7.53854 9.49653 10.3477 5.32922 7.26382 5.31024 11.0824 9.07935 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 6.70283 7.16148 5.49936 8.56324 7.65448 10.6875 9.13561 8.25411 7.89109 5.99333 5.42328 5.87555 8.87437 10.399 12.4808 numMergedOcc 0
19 mol 152 unq 0 iso 1 dist 7.16148 6.70283 5.49936 8.56324 10.6875 7.65448 9.13561 7.89109 8.25411 5.99333 5.42328 8.87437 5.87555 10.399 12.4808 numMergedOcc 0
20 mol 152 unq 1 iso 0 dist 6.70283 7.16148 5.49936 8.56324 7.65448 10.6875 9.13561 8.25411 7.89109 5.99333 6.4896 8.67331 8.05741 14.1618 14.1119 numMergedOcc 0
21 mol 152 unq 1 iso 1 dist 7.16148 6.70283 5.49936 8.56324 10.6875 7.65448 9.13561 7.89109 8.25411 5.99333 6.4896 8.05741 8.67331 14.1618 14.1119 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 9.0018 5.6234 6.2715 6.57069 8.16421 5.35493 9.8589 8.22779 10.5631 7.5414 7.42466 7.652 9.92231 10.2623 7.24908 numMergedOcc 0
23 mol 175 unq 0 iso 1 dist 5.6234 9.0018 6.2715 6.57069 5.35493 8.16421 9.8589 10.5631 8.22779 7.5414 7.42466 9.92231 7.652 10.2623 7.24908 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 6.57273 5.78342 8.49799 8.95269 4.70378 11.5372 6.87664 7.12232 5.3621 7.98696 5.0744 6.60589 9.16166 9.99123 10.8259 numMergedOcc 0
25 mol 224 unq 0 iso 1 dist 5.78342 6.57273 8.49799 8.95269 11.5372 4.70378 6.87664 5.3621 7.12232 7.98696 5.0744 9.16166 6.60589 9.99123 10.8259 numMergedOcc 0
26 mol 234 unq 0 iso 0 dist 6.56247 9.36357 7.82322 8.34494 6.29886 12.1694 6.25105 11.216 11.4315 10.3337 5.88703 9.45496 6.7625 12.9605 7.85175 numMergedOcc 0
27 mol 234 unq 0 iso 1 dist 9.36357 6.56247 7.82322 8.34494 12.1694 6.29886 6.25105 11.4315 11.216 10.3337 5.88703 6.7625 9.45496 12.9605 7.85175 numMergedOcc 0
28 mol 236 unq 0 iso 0 dist 8.03456 6.84306 5.79505 9.99038 9.90963 11.3368 7.17676 11.8759 11.3552 6.04825 7.28249 9.81562 7.68742 6.27581 5.34718 numMergedOcc 0
29 mol 236 unq 0 iso 1 dist 6.84306 8.03456 5.79505 9.99038 11.3368 9.90963 7.17676 11.3552 11.8759 6.04825 7.28249 7.68742 9.81562 6.27581 5.34718 numMergedOcc 0
30 mol 236 unq 1 iso 0 dist 8.03456 6.84306 5.79505 9.99038 9.90963 11.3368 6.68463 9.07822 11.6837 8.8265 7.28249 9.81562 7.68742 6.27581 10.5713 numMergedOcc 0
31 mol 236 unq 1 iso 1 dist 6.84306 8.03456 5.79505 9.99038 11.3368 9.90963 6.68463 11.6837 9.07822 8.8265 7.28249 7.68742 9.81562 6.27581 10.5713 numMergedOcc 0
32 mol 236 unq 2 iso 0 dist 8.03456 6.84306 5.79505 9.78037 6.96005 11.8739 7.17676 11.8759 11.3552 12.6468 7.28249 9.81562 7.68742 13.499 5.34718 numMergedOcc 0
33 mol 236 unq 2 iso 1 dist 6.84306 8.03456 5.79505 9.78037 11.8739 6.96005 7.17676 11.3552 11.8759 12.6468 7.28249 7.68742 9.81562 13.499 5.34718 numMergedOcc 0
34 mol 236 unq 3 iso 0 dist 8.03456 6.84306 5.79505 9.78037 6.96005 11.8739 6.68463 9.07822 11.6837 5.80136 7.28249 9.81562 7.68742 13.499 10.5713 numMergedOcc 0
35 mol 236 unq 3 iso 1 dist 6.84306 8.03456 5.79505 9.78037 11.8739 6.96005 6.68463 11.6837 9.07822 5.80136 7.28249 7.68742 9.81562 13.499 10.5713 numMergedOcc 0
36 mol 236 unq 4 iso 0 dist 8.03456 6.84306 5.79505 8.35971 14.2337 14.7998 7.17676 11.8759 11.3552 6.40312 7.28249 9.81562 7.68742 11.2141 5.34718 numMergedOcc 0
37 mol 236 unq 4 iso 1 dist 6.84306 8.03456 5.79505 8.35971 14.7998 14.2337 7.17676 11.3552 11.8759 6.40312 7.28249 7.68742 9.81562 11.2141 5.34718 numMergedOcc 0
38 mol 236 unq 5 iso 0 dist 8.03456 6.84306 5.79505 8.35971 14.2337 14.7998 6.68463 9.07822 11.6837 6.2568 7.28249 9.81562 7.68742 11.2141 10.5713 numMergedOcc 0
39 mol 236 unq 5 iso 1 dist 6.84306 8.03456 5.79505 8.35971 14.7998 14.2337 6.68463 11.6837 9.07822 6.2568 7.28249 7.68742 9.81562 11.2141 10.5713 numMergedOcc 0
40 mol 236 unq 6 iso 0 dist 8.03456 9.99038 9.90963 6.84306 5.79505 11.3368 7.17676 11.8759 6.04825 11.3552 7.28249 9.81562 6.27581 7.68742 5.34718 numMergedOcc 0
41 mol 236 unq 6 iso 1 dist 9.99038 8.03456 9.90963 6.84306 11.3368 5.79505 7.17676 6.04825 11.8759 11.3552 7.28249 6.27581 9.81562 7.68742 5.34718 numMergedOcc 0
42 mol 236 unq 7 iso 0 dist 8.03456 9.99038 9.90963 6.84306 5.79505 11.3368 6.68463 9.07822 8.8265 11.6837 7.28249 9.81562 6.27581 7.68742 10.5713 numMergedOcc 0
43 mol 236 unq 7 iso 1 dist 9.99038 8.03456 9.90963 6.84306 11.3368 5.79505 6.68463 8.8265 9.07822 11.6837 7.28249 6.27581 9.81562 7.68742 10.5713 numMergedOcc 0
44 mol 236 unq 8 iso 0 dist 8.03456 9.99038 9.90963 9.78037 6.96005 11.1557 7.17676 11.8759 6.04825 12.6468 7.28249 9.81562 6.27581 13.499 5.34718 numMergedOcc 0
45 mol 236 unq 8 iso 1 dist 9.99038 8.03456 9.90963 9.78037 11.1557 6.96005 7.17676 6.04825 11.8759 12.6468 7.28249 6.27581 9.81562 13.499 5.34718 numMergedOcc 0
46 mol 236 unq 9 iso 0 dist 8.03456 9.99038 9.90963 9.78037 6.96005 11.1557 6.68463 9.07822 8.8265 5.80136 7.28249 9.81562 6.27581 13.499 10.5713 numMergedOcc 0
47 mol 236 unq 9 iso 1 dist 9.99038 8.03456 9.90963 9.78037 11.1557 6.96005 6.68463 8.8265 9.07822 5.80136 7.28249 6.27581 9.81562 13.499 10.5713 numMergedOcc 0
48 mol 236 unq 10 iso 0 dist 8.03456 9.99038 9.90963 8.35971 14.2337 10.7497 7.17676 11.8759 6.04825 6.40312 7.28249 9.81562 6.27581 11.2141 5.34718 numMergedOcc 0
49 mol 236 unq 10 iso 1 dist 9.99038 8.03456 9.90963 8.35971 10.7497 14.2337 7.17676 6.04825 11.8759 6.40312 7.28249 6.27581 9.81562 11.2141 5.34718 numMergedOcc 0
50 mol 236 unq 11 iso 0 dist 8.03456 9.99038 9.90963 8.35971 14.2337 10.7497 6.68463 9.07822 8.8265 6.2568 7.28249 9.81562 6.27581 11.2141 10.5713 numMergedOcc 0
51 mol 236 unq 11 iso 1 dist 9.99038 8.03456 9.90963 8.35971 10.7497 14.2337 6.68463 8.8265 9.07822 6.2568 7.28249 6.27581 9.81562 11.2141 10.5713 numMergedOcc 0
52 mol 236 unq 6 iso 0 dist 6.84306 9.99038 11.3368 8.03456 5.79505 9.90963 7.17676 11.3552 6.04825 11.8759 7.28249 7.68742 6.27581 9.81562 5.34718 numMergedOcc 0
53 mol 236 unq 6 iso 1 dist 9.99038 6.84306 11.3368 8.03456 9.90963 5.79505 7.17676 6.04825 11.3552 11.8759 7.28249 6.27581 7.68742 9.81562 5.34718 numMergedOcc 0
54 mol 236 unq 7 iso 0 dist 6.84306 9.99038 11.3368 8.03456 5.79505 9.90963 6.68463 11.6837 8.8265 9.07822 7.28249 7.68742 6.27581 9.81562 10.5713 numMergedOcc 0
55 mol 236 unq 7 iso 1 dist 9.99038 6.84306 11.3368 8.03456 9.90963 5.79505 6.68463 8.8265 11.6837 9.07822 7.28249 6.27581 7.68742 9.81562 10.5713 numMergedOcc 0
56 mol 236 unq 8 iso 0 dist 6.84306 9.99038 11.3368 9.78037 11.8739 11.1557 7.17676 11.3552 6.04825 12.6468 7.28249 7.68742 6.27581 13.499 5.34718 numMergedOcc 0
57 mol 236 unq 8 iso 1 dist 9.99038 6.84306 11.3368 9.78037 11.1557 11.8739 7.17676 6.04825 11.3552 12.6468 7.28249 6.27581 7.68742 13.499 5.34718 numMergedOcc 0
58 mol 236 unq 9 iso 0 dist 6.84306 9.99038 11.3368 9.78037 11.8739 11.1557 6.68463 11.6837 8.8265 5.80136 7.28249 7.68742 6.27581 13.499 10.5713 numMergedOcc 0
59 mol 236 unq 9 iso 1 dist 9.99038 6.84306 11.3368 9.78037 11.1557 11.8739 6.68463 8.8265 11.6837 5.80136 7.28249 6.27581 7.68742 13.499 10.5713 numMergedOcc 0
60 mol 236 unq 10 iso 0 dist 6.84306 9.99038 11.3368 8.35971 14.7998 10.7497 7.17676 11.3552 6.04825 6.40312 7.28249 7.68742 6.27581 11.2141 5.34718 numMergedOcc 0
61 mol 236 unq 10 iso 1 dist 9.99038 6.84306 11.3368 8.35971 10.7497 14.7998 7.17676 6.04825 11.3552 6.40312 7.28249 6.27581 7.68742 11.2141 5.34718 numMergedOcc 0
62 mol 236 unq 11 iso 0 dist 6.84306 9.99038 11.3368 8.35971 14.7998 10.7497 6.68463 11.6837 8.8265 6.2568 7.28249 7.68742 6.27581 11.2141 10.5713 numMergedOcc 0
63 mol 236 unq 11 iso 1 dist 9.99038 6.84306 11.3368 8.35971 10.7497 14.7998 6.68463 8.8265 11.6837 6.2568 7.28249 6.27581 7.68742 11.2141 10.5713 numMergedOcc 0
64 mol 236 unq 12 iso 0 dist 9.81562 7.68742 5.79505 6.27581 9.90963 11.3368 5.34718 11.8759 11.3552 6.04825 7.28249 8.03456 6.84306 9.99038 7.17676 numMergedOcc 0
65 mol 236 unq 12 iso 1 dist 7.68742 9.81562 5.79505 6.27581 11.3368 9.90963 5.34718 11.3552 11.8759 6.04825 7.28249 6.84306 8.03456 9.99038 7.17676 numMergedOcc 0
66 mol 236 unq 13 iso 0 dist 9.81562 6.27581 9.90963 7.68742 5.79505 11.3368 5.34718 11.8759 6.04825 11.3552 7.28249 8.03456 9.99038 6.84306 7.17676 numMergedOcc 0
67 mol 236 unq 13 iso 1 dist 6.27581 9.81562 9.90963 7.68742 11.3368 5.79505 5.34718 6.04825 11.8759 11.3552 7.28249 9.99038 8.03456 6.84306 7.17676 numMergedOcc 0
68 mol 236 unq 13 iso 0 dist 7.68742 6.27581 11.3368 9.81562 5.79505 9.90963 5.34718 11.3552 6.04825 11.8759 7.28249 6.84306 9.99038 8.03456 7.17676 numMergedOcc 0
69 mol 236 unq 13 iso 1 dist 6.27581 7.68742 11.3368 9.81562 9.90963 5.79505 5.34718 6.04825 11.3552 11.8759 7.28249 9.99038 6.84306 8.03456 7.17676 numMergedOcc 0
