0 mol 26 unq 0 iso 0 dist 9.97991 11.1182 8.44506 5.21951 6.38243 7.11305 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 9.01516 14.3481 8.63486 13.6231 5.07125 6.15355 numMergedOcc 0
2 mol 56 unq 1 iso 0 dist 7.31255 14.2307 8.63486 8.33154 5.07125 6.15355 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.0534 4.91508 8.03303 11.5328 7.69861 8.96557 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 5.89661 8.38283 9.81831 10.5249 7.8435 16.1023 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 5.89661 8.38283 9.81831 10.3971 5.99269 13.1721 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 5.89661 8.38283 9.81831 8.75661 5.71763 9.34182 numMergedOcc 0
7 mol 93 unq 3 iso 0 dist 5.89661 6.13065 9.12858 10.5249 7.8435 12.4934 numMergedOcc 0
8 mol 93 unq 4 iso 0 dist 5.89661 6.13065 9.12858 10.3971 5.99269 11.0537 numMergedOcc 0
9 mol 93 unq 5 iso 0 dist 5.89661 6.13065 9.12858 8.75661 5.71763 12.0103 numMergedOcc 0
10 mol 93 unq 6 iso 0 dist 5.89661 11.0971 9.4523 10.5249 7.8435 10.8106 numMergedOcc 0
11 mol 93 unq 7 iso 0 dist 5.89661 11.0971 9.4523 10.3971 5.99269 7.14217 numMergedOcc 0
12 mol 93 unq 8 iso 0 dist 5.89661 11.0971 9.4523 8.75661 5.71763 12.9351 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 9.60416 11.8887 7.26086 15.4506 8.75597 3.9764 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 7.20629 4.6251 7.77116 9.24957 9.6121 6.9194 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 7.20629 4.6251 7.77116 12.6962 9.57341 9.68677 numMergedOcc 0
16 mol 126 unq 0 iso 0 dist 9.31118 5.50061 9.46588 10.1006 8.66815 10.7549 numMergedOcc 0
17 mol 126 unq 1 iso 0 dist 8.44104 13.2671 9.46588 5.08006 8.66815 10.7549 numMergedOcc 0
18 mol 130 unq 0 iso 0 dist 7.67321 13.9674 9.28592 11.6 8.24966 8.14075 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 6.39075 5.90361 8.56003 10.3049 9.05336 6.11469 numMergedOcc 0
20 mol 147 unq 0 iso 0 dist 9.95533 5.65454 5.49226 15.6865 9.43989 12.068 numMergedOcc 0
21 mol 147 unq 1 iso 0 dist 9.95533 10.1056 6.28351 15.6865 9.43989 5.59468 numMergedOcc 0
22 mol 147 unq 2 iso 0 dist 7.94147 10.4411 5.49226 8.57724 9.43989 12.068 numMergedOcc 0
23 mol 147 unq 3 iso 0 dist 7.94147 6.11262 6.28351 8.57724 9.43989 5.59468 numMergedOcc 0
24 mol 170 unq 0 iso 0 dist 5.59924 7.62198 8.15099 5.37396 5.13268 4.78249 numMergedOcc 0
25 mol 171 unq 0 iso 0 dist 9.7578 12.3609 9.11712 14.7654 8.999 4.00127 numMergedOcc 0
26 mol 171 unq 1 iso 0 dist 6.27462 11.7578 7.71426 14.6076 9.13027 11.8244 numMergedOcc 0
27 mol 171 unq 2 iso 0 dist 6.27462 5.45834 5.10618 14.6076 9.13027 13.9189 numMergedOcc 0
28 mol 171 unq 3 iso 0 dist 6.27462 11.9898 9.86681 14.6076 9.13027 8.25926 numMergedOcc 0
29 mol 171 unq 4 iso 0 dist 9.85967 15.1894 9.11712 13.1165 8.999 4.00127 numMergedOcc 0
30 mol 186 unq 0 iso 0 dist 5.31166 5.95114 9.56197 6.3473 8.57801 6.89047 numMergedOcc 0
31 mol 186 unq 1 iso 0 dist 5.31166 5.93294 7.24795 6.3473 8.57801 3.90244 numMergedOcc 0
32 mol 186 unq 2 iso 0 dist 5.31166 8.88219 8.64409 6.3473 8.57801 12.6058 numMergedOcc 0
33 mol 186 unq 3 iso 0 dist 5.31166 7.74823 7.60202 6.3473 8.57801 7.21555 numMergedOcc 0
34 mol 212 unq 0 iso 0 dist 7.90906 10.3349 8.57827 11.9025 5.50658 6.47488 numMergedOcc 0
35 mol 212 unq 1 iso 0 dist 7.90906 9.83647 6.29767 11.9025 5.50658 3.9436 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 7.11989 6.3985 9.2581 11.0888 7.97027 9.01393 numMergedOcc 0
37 mol 222 unq 1 iso 0 dist 7.11989 6.3985 9.2581 5.93092 6.81955 6.25425 numMergedOcc 0
38 mol 222 unq 2 iso 0 dist 7.11989 6.3985 9.2581 6.80198 4.9876 5.64455 numMergedOcc 0
39 mol 222 unq 3 iso 0 dist 7.11989 11.068 9.62632 11.0888 7.97027 13.3586 numMergedOcc 0
40 mol 222 unq 4 iso 0 dist 7.11989 11.068 9.62632 5.93092 6.81955 5.16212 numMergedOcc 0
41 mol 222 unq 5 iso 0 dist 7.11989 11.068 9.62632 6.80198 4.9876 5.9478 numMergedOcc 0
42 mol 222 unq 6 iso 0 dist 7.11989 12.6853 7.862 11.0888 7.97027 8.84507 numMergedOcc 0
43 mol 222 unq 7 iso 0 dist 7.11989 12.6853 7.862 5.93092 6.81955 8.67203 numMergedOcc 0
44 mol 222 unq 8 iso 0 dist 7.11989 12.6853 7.862 6.80198 4.9876 6.02502 numMergedOcc 0
45 mol 238 unq 0 iso 0 dist 9.62121 14.572 5.52379 14.0336 6.53286 4.48415 numMergedOcc 0
46 mol 252 unq 0 iso 0 dist 6.97105 7.59919 8.47784 4.3968 8.19529 6.62402 numMergedOcc 0
47 mol 252 unq 1 iso 0 dist 6.97105 7.59919 8.47784 5.75377 6.45396 10.2463 numMergedOcc 0
48 mol 252 unq 2 iso 0 dist 6.97105 10.251 8.66469 4.3968 8.19529 8.71281 numMergedOcc 0
49 mol 252 unq 3 iso 0 dist 6.97105 10.251 8.66469 5.75377 6.45396 4.54582 numMergedOcc 0
50 mol 264 unq 0 iso 0 dist 9.54836 6.46871 7.52281 8.52745 6.02757 5.71153 numMergedOcc 0
51 mol 264 unq 1 iso 0 dist 9.54836 6.46871 7.52281 4.96942 8.67231 6.87635 numMergedOcc 0
52 mol 264 unq 2 iso 0 dist 9.54836 6.62911 6.42588 8.52745 6.02757 6.56539 numMergedOcc 0
53 mol 264 unq 3 iso 0 dist 9.54836 6.62911 6.42588 4.96942 8.67231 4.76241 numMergedOcc 0
54 mol 276 unq 0 iso 0 dist 9.55021 14.1702 6.70215 15.5685 7.49391 4.51728 numMergedOcc 0
55 mol 276 unq 1 iso 0 dist 9.55021 11.8927 7.25423 15.5685 7.49391 5.45206 numMergedOcc 0
56 mol 276 unq 2 iso 0 dist 9.55021 9.3062 7.88706 15.5685 7.49391 9.33434 numMergedOcc 0
57 mol 276 unq 3 iso 0 dist 9.55021 9.23255 7.23916 15.5685 7.49391 12.2368 numMergedOcc 0
58 mol 279 unq 0 iso 0 dist 7.84195 11.4893 8.29305 5.03747 5.8304 6.5644 numMergedOcc 0
59 mol 279 unq 1 iso 0 dist 7.84195 11.4893 8.29305 14.9354 7.37478 8.70069 numMergedOcc 0
60 mol 279 unq 2 iso 0 dist 7.84195 12.9462 6.43341 5.03747 5.8304 9.40912 numMergedOcc 0
61 mol 279 unq 3 iso 0 dist 7.84195 12.9462 6.43341 14.9354 7.37478 4.14939 numMergedOcc 0
62 mol 279 unq 4 iso 0 dist 9.2174 4.98462 8.29305 9.59972 5.8304 6.5644 numMergedOcc 0
63 mol 279 unq 5 iso 0 dist 9.2174 4.98462 8.29305 6.63427 7.37478 8.70069 numMergedOcc 0
64 mol 279 unq 6 iso 0 dist 9.2174 7.30763 6.43341 9.59972 5.8304 9.40912 numMergedOcc 0
65 mol 279 unq 7 iso 0 dist 9.2174 7.30763 6.43341 6.63427 7.37478 4.14939 numMergedOcc 0
