0 mol 16 unq 0 iso 0 dist 7.63133 6.31718 10.8455 5.47769 5.94084 6.2983 5.32694 5.46498 10.9143 6.58035 13.0191 6.73355 16.9205 10.9633 8.41862 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 7.63133 6.31718 10.8455 5.47769 5.94084 6.2983 10.4155 8.71745 16.4009 12.1189 13.0191 6.73355 16.9205 10.9633 8.16785 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 8.4674 4.51865 5.80928 6.20943 5.14627 4.69858 7.67038 4.54938 6.864 7.82528 13.4721 10.9543 11.4401 14.7664 8.78293 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 8.4674 4.51865 5.80928 6.20943 5.14627 4.69858 7.67038 4.54938 6.864 7.82528 14.6255 6.55187 12.3093 11.0033 8.23643 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 8.4674 4.51865 5.80928 6.20943 5.14627 4.69858 10.3915 7.82074 11.0366 10.2708 14.6255 6.55187 12.3093 11.0033 8.73972 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 4.54938 7.20519 7.34551 8.78293 10.9543 5.31524 7.67038 8.4674 10.4091 13.4721 7.82528 5.14627 10.4988 14.7664 6.20943 numMergedOcc 0
6 mol 19 unq 4 iso 0 dist 4.54938 7.20519 7.34551 8.78293 10.9543 5.31524 5.03957 7.82074 12.1187 12.6444 8.23643 6.55187 11.0832 12.7954 8.73972 numMergedOcc 0
7 mol 19 unq 5 iso 0 dist 4.54938 7.20519 7.34551 8.23643 6.55187 11.0832 7.67038 8.4674 10.4091 14.6255 7.82528 5.14627 10.4988 11.0033 6.20943 numMergedOcc 0
8 mol 19 unq 6 iso 0 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 5.03957 7.82074 12.1187 10.2708 8.23643 6.55187 11.0832 11.0033 8.73972 numMergedOcc 0
9 mol 19 unq 7 iso 0 dist 4.54938 6.864 5.80928 8.78293 10.9543 11.4401 7.67038 8.4674 4.51865 13.4721 7.82528 5.14627 4.69858 14.7664 6.20943 numMergedOcc 0
10 mol 19 unq 8 iso 0 dist 4.54938 6.864 5.80928 8.78293 10.9543 11.4401 5.03957 7.82074 11.0366 12.6444 8.23643 6.55187 12.3093 12.7954 8.73972 numMergedOcc 0
11 mol 19 unq 9 iso 0 dist 4.54938 6.864 5.80928 8.23643 6.55187 12.3093 7.67038 8.4674 4.51865 14.6255 7.82528 5.14627 4.69858 11.0033 6.20943 numMergedOcc 0
12 mol 19 unq 10 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 5.03957 7.82074 11.0366 10.2708 8.23643 6.55187 12.3093 11.0033 8.73972 numMergedOcc 0
13 mol 19 unq 11 iso 0 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 7.67038 6.864 4.54938 7.82528 13.4721 11.4401 10.9543 14.7664 8.78293 numMergedOcc 0
14 mol 19 unq 12 iso 0 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 7.67038 6.864 4.54938 7.82528 14.6255 12.3093 6.55187 11.0033 8.23643 numMergedOcc 0
15 mol 19 unq 13 iso 0 dist 6.864 7.20519 7.07775 8.78293 11.4401 5.31524 7.67038 4.51865 10.4091 13.4721 7.82528 4.69858 10.4988 14.7664 6.20943 numMergedOcc 0
16 mol 19 unq 14 iso 0 dist 6.864 7.20519 7.07775 8.23643 12.3093 11.0832 7.67038 4.51865 10.4091 14.6255 7.82528 4.69858 10.4988 11.0033 6.20943 numMergedOcc 0
17 mol 19 unq 15 iso 0 dist 6.864 4.54938 5.80928 8.78293 11.4401 10.9543 7.67038 4.51865 8.4674 13.4721 7.82528 4.69858 5.14627 14.7664 6.20943 numMergedOcc 0
18 mol 19 unq 16 iso 0 dist 6.864 4.54938 5.80928 8.23643 12.3093 6.55187 7.67038 4.51865 8.4674 14.6255 7.82528 4.69858 5.14627 11.0033 6.20943 numMergedOcc 0
19 mol 58 unq 0 iso 0 dist 9.4099 9.55426 10.6169 9.73139 5.24906 13.1021 6.47414 6.64012 13.4544 6.46761 6.31428 5.11205 6.75888 6.44201 7.58407 numMergedOcc 0
20 mol 58 unq 1 iso 0 dist 9.4099 9.55426 10.6169 6.31428 5.11205 6.75888 6.47414 6.64012 13.4544 7.58407 9.73139 5.24906 13.1021 6.44201 6.46761 numMergedOcc 0
21 mol 58 unq 2 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 5.90225 7.32874 11.396 10.9482 6.31428 6.75888 5.11205 6.44201 6.40841 numMergedOcc 0
22 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 8.24309 9.78528 9.84449 11.9814 12.0903 11.6894 5.14048 15.2764 9.02278 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 7.64585 10.2377 10.8939 7.69052 5.83991 7.88312 12.2309 9.66954 6.09023 4.61908 12.0796 8.66155 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 9.33865 5.83991 7.69052 7.76729 10.7942 10.9739 8.02349 6.11741 7.88312 12.9821 13.9977 10.8292 11.7126 19.687 6.99777 numMergedOcc 0
25 mol 115 unq 2 iso 0 dist 9.33865 5.83991 7.69052 7.76729 10.7942 10.9739 8.02349 6.11741 7.88312 12.9821 9.65429 6.12943 4.62962 12.4207 9.14376 numMergedOcc 0
26 mol 115 unq 3 iso 0 dist 5.83991 7.30858 10.8507 8.66155 6.09023 11.3902 7.69052 9.33865 13.8473 9.66954 12.2309 10.2377 19.2193 12.0796 7.64585 numMergedOcc 0
27 mol 115 unq 4 iso 0 dist 5.83991 7.88312 8.02349 8.66155 6.09023 4.61908 7.69052 9.33865 6.11741 9.66954 12.2309 10.2377 10.8939 12.0796 7.64585 numMergedOcc 0
28 mol 115 unq 5 iso 0 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 8.02349 7.88312 6.11741 12.9821 13.9977 11.7126 10.8292 19.687 6.99777 numMergedOcc 0
29 mol 115 unq 6 iso 0 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 8.02349 7.88312 6.11741 12.9821 9.65429 4.62962 6.12943 12.4207 9.14376 numMergedOcc 0
30 mol 115 unq 7 iso 0 dist 6.11741 9.33865 8.02349 7.64585 10.8939 10.2377 7.69052 7.88312 5.83991 12.2309 9.66954 4.61908 6.09023 12.0796 8.66155 numMergedOcc 0
31 mol 115 unq 8 iso 0 dist 6.11741 7.88312 7.69052 6.99777 10.8292 11.7126 8.02349 9.33865 5.83991 13.9977 12.9821 10.7942 10.9739 19.687 7.76729 numMergedOcc 0
32 mol 115 unq 9 iso 0 dist 6.11741 7.88312 7.69052 9.14376 6.12943 4.62962 8.02349 9.33865 5.83991 9.65429 12.9821 10.7942 10.9739 12.4207 7.76729 numMergedOcc 0
33 mol 115 unq 10 iso 0 dist 7.88312 7.30858 11.5723 8.66155 4.61908 11.3902 7.69052 6.11741 13.8473 9.66954 12.2309 10.8939 19.2193 12.0796 7.64585 numMergedOcc 0
34 mol 115 unq 11 iso 0 dist 7.88312 5.83991 8.02349 8.66155 4.61908 6.09023 7.69052 6.11741 9.33865 9.66954 12.2309 10.8939 10.2377 12.0796 7.64585 numMergedOcc 0
35 mol 115 unq 12 iso 0 dist 7.88312 6.11741 7.69052 6.99777 11.7126 10.8292 8.02349 5.83991 9.33865 13.9977 12.9821 10.9739 10.7942 19.687 7.76729 numMergedOcc 0
36 mol 115 unq 13 iso 0 dist 7.88312 6.11741 7.69052 9.14376 4.62962 6.12943 8.02349 5.83991 9.33865 9.65429 12.9821 10.9739 10.7942 12.4207 7.76729 numMergedOcc 0
37 mol 155 unq 0 iso 0 dist 7.46303 6.23493 5.71071 9.17284 6.3437 4.9093 7.66392 6.43582 10.2463 12.2465 15.9495 12.8482 18.174 18.0659 9.38946 numMergedOcc 0
38 mol 155 unq 1 iso 0 dist 7.46303 6.23493 5.71071 9.17284 6.3437 4.9093 7.66392 6.43582 10.2463 12.2465 12.1081 8.27726 13.5062 12.644 7.36102 numMergedOcc 0
39 mol 155 unq 2 iso 0 dist 7.46303 6.43582 7.66392 9.14392 6.3845 12.1814 5.71071 6.23493 10.2463 7.16254 7.51198 5.86939 6.34186 7.63368 9.86313 numMergedOcc 0
40 mol 155 unq 3 iso 0 dist 7.46303 6.43582 7.66392 7.51198 5.86939 6.34186 5.71071 6.23493 10.2463 9.86313 9.14392 6.3845 12.1814 7.63368 7.16254 numMergedOcc 0
41 mol 175 unq 0 iso 0 dist 9.0018 7.652 7.42466 9.31887 11.0415 5.0384 6.2715 5.6234 9.92231 12.816 10.689 5.28109 7.14477 12.0428 9.0664 numMergedOcc 0
42 mol 175 unq 1 iso 0 dist 7.652 9.0018 7.42466 9.31887 5.0384 11.0415 6.2715 9.92231 5.6234 12.816 10.689 7.14477 5.28109 12.0428 9.0664 numMergedOcc 0
43 mol 175 unq 2 iso 0 dist 5.6234 9.92231 7.42466 9.0664 5.28109 7.14477 6.2715 9.0018 7.652 10.689 12.816 11.0415 5.0384 12.0428 9.31887 numMergedOcc 0
44 mol 175 unq 3 iso 0 dist 9.92231 5.6234 7.42466 9.0664 7.14477 5.28109 6.2715 7.652 9.0018 10.689 12.816 5.0384 11.0415 12.0428 9.31887 numMergedOcc 0
45 mol 181 unq 0 iso 0 dist 5.98885 9.09537 10.1912 7.20046 5.4601 6.14208 5.16002 9.15386 12.9862 11.968 10.8351 8.25067 17.441 13.6811 9.6668 numMergedOcc 0
46 mol 181 unq 1 iso 0 dist 5.98885 9.09537 10.1912 7.13543 10.0524 5.95965 5.16002 9.15386 12.9862 11.8099 10.8351 8.25067 17.441 17.3245 9.6668 numMergedOcc 0
47 mol 224 unq 0 iso 0 dist 6.57273 6.60589 5.0744 6.65984 5.29877 6.12232 4.70378 8.95269 9.99123 6.67585 10.0414 9.36098 12.5195 6.88258 7.06793 numMergedOcc 0
48 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 5.22356 8.65997 10.8157 6.95902 13.4493 14.6185 17.2469 8.55671 9.62609 numMergedOcc 0
49 mol 227 unq 1 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 12.4689 7.55216 10.0334 12.8864 15.9414 11.662 10.614 18.0561 8.83563 numMergedOcc 0
50 mol 234 unq 0 iso 0 dist 6.56247 8.34494 6.29886 6.25105 11.216 10.3337 5.88703 9.45496 12.9605 7.85175 10.3388 15.9563 15.6589 5.32617 9.5707 numMergedOcc 0
51 mol 234 unq 1 iso 0 dist 6.56247 9.36357 7.82322 6.25105 11.216 11.4315 5.88703 9.45496 6.7625 7.85175 10.3388 15.9563 14.4106 5.32617 9.5707 numMergedOcc 0
52 mol 234 unq 2 iso 0 dist 9.36357 8.34494 12.1694 6.25105 11.4315 10.3337 5.88703 6.7625 12.9605 7.85175 10.3388 14.4106 15.6589 5.32617 9.5707 numMergedOcc 0
53 mol 234 unq 3 iso 0 dist 9.36357 6.56247 7.82322 6.25105 11.4315 11.216 5.88703 6.7625 9.45496 7.85175 10.3388 14.4106 15.9563 5.32617 9.5707 numMergedOcc 0
54 mol 234 unq 4 iso 0 dist 9.45496 6.7625 7.82322 9.5707 15.9563 14.4106 5.88703 6.56247 9.36357 10.3388 7.85175 11.216 11.4315 5.32617 6.25105 numMergedOcc 0
55 mol 234 unq 5 iso 0 dist 6.7625 9.45496 7.82322 9.5707 14.4106 15.9563 5.88703 9.36357 6.56247 10.3388 7.85175 11.4315 11.216 5.32617 6.25105 numMergedOcc 0
56 mol 236 unq 0 iso 0 dist 8.03456 6.84306 5.79505 6.68463 9.07822 11.6837 7.28249 9.81562 7.68742 10.5713 7.17676 11.8759 11.3552 7.88539 5.34718 numMergedOcc 0
57 mol 236 unq 1 iso 0 dist 8.03456 9.99038 9.90963 6.68463 9.07822 8.8265 7.28249 9.81562 6.27581 10.5713 7.17676 11.8759 6.04825 7.88539 5.34718 numMergedOcc 0
58 mol 236 unq 2 iso 0 dist 8.03456 9.78037 6.96005 6.68463 9.07822 5.80136 7.28249 9.81562 13.499 10.5713 7.17676 11.8759 12.6468 7.88539 5.34718 numMergedOcc 0
59 mol 236 unq 3 iso 0 dist 8.03456 8.35971 14.2337 6.68463 9.07822 6.2568 7.28249 9.81562 11.2141 10.5713 7.17676 11.8759 6.40312 7.88539 5.34718 numMergedOcc 0
60 mol 236 unq 4 iso 0 dist 6.84306 8.03456 5.79505 6.68463 11.6837 9.07822 7.28249 7.68742 9.81562 10.5713 7.17676 11.3552 11.8759 7.88539 5.34718 numMergedOcc 0
61 mol 236 unq 5 iso 0 dist 6.84306 9.99038 11.3368 6.68463 11.6837 8.8265 7.28249 7.68742 6.27581 10.5713 7.17676 11.3552 6.04825 7.88539 5.34718 numMergedOcc 0
62 mol 236 unq 6 iso 0 dist 6.84306 9.78037 11.8739 6.68463 11.6837 5.80136 7.28249 7.68742 13.499 10.5713 7.17676 11.3552 12.6468 7.88539 5.34718 numMergedOcc 0
63 mol 236 unq 7 iso 0 dist 6.84306 8.35971 14.7998 6.68463 11.6837 6.2568 7.28249 7.68742 11.2141 10.5713 7.17676 11.3552 6.40312 7.88539 5.34718 numMergedOcc 0
64 mol 236 unq 8 iso 0 dist 9.99038 8.03456 9.90963 6.68463 8.8265 9.07822 7.28249 6.27581 9.81562 10.5713 7.17676 6.04825 11.8759 7.88539 5.34718 numMergedOcc 0
65 mol 236 unq 9 iso 0 dist 9.99038 6.84306 11.3368 6.68463 8.8265 11.6837 7.28249 6.27581 7.68742 10.5713 7.17676 6.04825 11.3552 7.88539 5.34718 numMergedOcc 0
66 mol 236 unq 10 iso 0 dist 9.99038 9.78037 11.1557 6.68463 8.8265 5.80136 7.28249 6.27581 13.499 10.5713 7.17676 6.04825 12.6468 7.88539 5.34718 numMergedOcc 0
67 mol 236 unq 11 iso 0 dist 9.99038 8.35971 10.7497 6.68463 8.8265 6.2568 7.28249 6.27581 11.2141 10.5713 7.17676 6.04825 6.40312 7.88539 5.34718 numMergedOcc 0
68 mol 236 unq 12 iso 0 dist 9.81562 7.68742 5.79505 5.34718 11.8759 11.3552 7.28249 8.03456 6.84306 7.17676 10.5713 9.07822 11.6837 7.88539 6.68463 numMergedOcc 0
69 mol 236 unq 13 iso 0 dist 9.81562 6.27581 9.90963 5.34718 11.8759 6.04825 7.28249 8.03456 9.99038 7.17676 10.5713 9.07822 8.8265 7.88539 6.68463 numMergedOcc 0
70 mol 236 unq 14 iso 0 dist 7.68742 9.81562 5.79505 5.34718 11.3552 11.8759 7.28249 6.84306 8.03456 7.17676 10.5713 11.6837 9.07822 7.88539 6.68463 numMergedOcc 0
71 mol 236 unq 15 iso 0 dist 7.68742 6.27581 11.3368 5.34718 11.3552 6.04825 7.28249 6.84306 9.99038 7.17676 10.5713 11.6837 8.8265 7.88539 6.68463 numMergedOcc 0
72 mol 236 unq 16 iso 0 dist 6.27581 9.81562 9.90963 5.34718 6.04825 11.8759 7.28249 9.99038 8.03456 7.17676 10.5713 8.8265 9.07822 7.88539 6.68463 numMergedOcc 0
73 mol 236 unq 17 iso 0 dist 6.27581 7.68742 11.3368 5.34718 6.04825 11.3552 7.28249 9.99038 6.84306 7.17676 10.5713 8.8265 11.6837 7.88539 6.68463 numMergedOcc 0
74 mol 272 unq 0 iso 0 dist 8.46116 9.97651 8.12676 6.16449 8.52877 4.72202 5.40809 8.33638 13.2494 10.1966 9.09992 5.63139 10.841 9.75529 6.73206 numMergedOcc 0
