0 mol 56 unq 0 iso 0 dist 9.01516 14.3481 8.63486 11.9402 6.91393 12.8132 numMergedOcc 0
1 mol 56 unq 1 iso 0 dist 9.01516 14.3481 8.63486 11.5883 8.40038 16.7219 numMergedOcc 0
2 mol 56 unq 2 iso 0 dist 7.31255 14.2307 8.63486 5.06308 6.91393 12.8132 numMergedOcc 0
3 mol 56 unq 3 iso 0 dist 7.31255 14.2307 8.63486 4.89692 8.40038 16.7219 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.0534 4.91508 8.03303 9.58688 8.58543 8.92736 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 5.89661 8.38283 9.81831 6.10639 5.51624 11.6865 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 5.89661 8.38283 9.81831 12.8537 7.8674 12.2598 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 5.89661 6.13065 9.12858 6.10639 5.51624 7.64463 numMergedOcc 0
8 mol 93 unq 3 iso 0 dist 5.89661 6.13065 9.12858 12.8537 7.8674 14.8533 numMergedOcc 0
9 mol 93 unq 4 iso 0 dist 5.89661 11.0971 9.4523 6.10639 5.51624 8.29171 numMergedOcc 0
10 mol 93 unq 5 iso 0 dist 5.89661 11.0971 9.4523 12.8537 7.8674 12.7936 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 9.03491 7.12329 5.74857 5.15368 8.71286 7.3094 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 7.20629 4.6251 7.77116 8.9683 8.03035 4.91132 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 7.20629 4.6251 7.77116 5.50673 7.6968 6.08167 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 9.95533 5.65454 5.49226 13.1959 9.23528 9.02993 numMergedOcc 0
15 mol 147 unq 1 iso 0 dist 9.95533 10.1056 6.28351 13.1959 9.23528 14.4247 numMergedOcc 0
16 mol 147 unq 2 iso 0 dist 7.94147 10.4411 5.49226 16.9873 9.23528 9.02993 numMergedOcc 0
17 mol 147 unq 3 iso 0 dist 7.94147 6.11262 6.28351 16.9873 9.23528 14.4247 numMergedOcc 0
18 mol 156 unq 0 iso 0 dist 9.40992 16.4706 9.43259 9.19636 5.90883 10.7023 numMergedOcc 0
19 mol 156 unq 1 iso 0 dist 7.44879 12.6787 9.43259 13.3524 5.90883 10.7023 numMergedOcc 0
20 mol 156 unq 2 iso 0 dist 7.64275 11.6982 9.31851 10.5411 4.9941 10.7975 numMergedOcc 0
21 mol 156 unq 3 iso 0 dist 7.64275 11.6982 9.31851 13.3524 8.06913 13.6634 numMergedOcc 0
22 mol 156 unq 4 iso 0 dist 7.64275 12.6787 6.2319 10.5411 4.9941 5.71107 numMergedOcc 0
23 mol 156 unq 5 iso 0 dist 7.64275 12.6787 6.2319 13.3524 8.06913 10.7023 numMergedOcc 0
24 mol 156 unq 6 iso 0 dist 7.64275 16.7351 9.97732 10.5411 4.9941 11.2067 numMergedOcc 0
25 mol 156 unq 7 iso 0 dist 7.64275 16.7351 9.97732 13.3524 8.06913 9.00862 numMergedOcc 0
26 mol 171 unq 0 iso 0 dist 9.7578 12.3609 9.11712 14.3134 9.75627 8.26419 numMergedOcc 0
27 mol 171 unq 1 iso 0 dist 6.27462 11.7578 7.71426 12.4068 7.82546 4.44751 numMergedOcc 0
28 mol 171 unq 2 iso 0 dist 6.27462 5.45834 5.10618 12.4068 7.82546 9.61561 numMergedOcc 0
29 mol 171 unq 3 iso 0 dist 6.27462 11.9898 9.86681 12.4068 7.82546 10.2067 numMergedOcc 0
30 mol 171 unq 4 iso 0 dist 9.85967 15.1894 9.11712 8.98068 9.75627 8.26419 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 6.58421 5.77884 7.20574 8.71876 7.55358 12.7155 numMergedOcc 0
32 mol 186 unq 1 iso 0 dist 6.58421 5.77884 7.20574 7.122 8.87818 11.2142 numMergedOcc 0
33 mol 186 unq 2 iso 0 dist 6.58421 7.02436 6.85302 8.71876 7.55358 9.97575 numMergedOcc 0
34 mol 186 unq 3 iso 0 dist 6.58421 7.02436 6.85302 7.122 8.87818 7.92653 numMergedOcc 0
35 mol 186 unq 4 iso 0 dist 5.31166 5.95114 9.56197 7.56736 7.55358 9.27818 numMergedOcc 0
36 mol 186 unq 5 iso 0 dist 5.31166 5.95114 9.56197 9.89307 7.60991 9.55926 numMergedOcc 0
37 mol 186 unq 6 iso 0 dist 5.31166 5.93294 7.24795 7.56736 7.55358 13.0197 numMergedOcc 0
38 mol 186 unq 7 iso 0 dist 5.31166 5.93294 7.24795 9.89307 7.60991 12.9082 numMergedOcc 0
39 mol 186 unq 8 iso 0 dist 5.31166 8.88219 8.64409 7.56736 7.55358 4.37002 numMergedOcc 0
40 mol 186 unq 9 iso 0 dist 5.31166 8.88219 8.64409 9.89307 7.60991 4.64235 numMergedOcc 0
41 mol 186 unq 10 iso 0 dist 5.31166 7.74823 7.60202 7.56736 7.55358 9.72941 numMergedOcc 0
42 mol 186 unq 11 iso 0 dist 5.31166 7.74823 7.60202 9.89307 7.60991 5.39885 numMergedOcc 0
43 mol 186 unq 12 iso 0 dist 9.03496 11.4876 6.72641 5.37893 7.23293 8.12143 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 9.62121 14.572 5.52379 11.8352 9.89583 14.1055 numMergedOcc 0
45 mol 238 unq 1 iso 0 dist 9.28463 4.99401 6.66971 8.09178 9.89583 10.7508 numMergedOcc 0
46 mol 238 unq 2 iso 0 dist 9.28463 5.07768 6.4398 8.09178 9.89583 5.87253 numMergedOcc 0
47 mol 238 unq 3 iso 0 dist 9.28463 9.99053 7.32982 8.09178 9.89583 10.7551 numMergedOcc 0
48 mol 264 unq 0 iso 0 dist 9.54836 6.46871 7.52281 10.1582 5.74568 4.48907 numMergedOcc 0
49 mol 264 unq 1 iso 0 dist 9.54836 6.62911 6.42588 10.1582 5.74568 10.1591 numMergedOcc 0
