0 mol 55 unq 0 iso 0 dist 5.24742 7.02539 9.29433 9.57876 8.0329 15.5369 numMergedOcc 0
1 mol 55 unq 0 iso 1 dist 9.29433 7.02539 5.24742 15.5369 8.0329 9.57876 numMergedOcc 0
2 mol 55 unq 1 iso 0 dist 5.24742 7.02539 9.29433 9.00393 9.99417 14.6227 numMergedOcc 0
3 mol 55 unq 1 iso 1 dist 9.29433 7.02539 5.24742 14.6227 9.99417 9.00393 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 5.66803 12.1186 8.85416 10.0913 7.77991 8.21081 numMergedOcc 0
5 mol 64 unq 0 iso 1 dist 8.85416 12.1186 5.66803 8.21081 7.77991 10.0913 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 5.66803 12.1186 8.85416 5.68492 5.1488 11.6323 numMergedOcc 0
7 mol 64 unq 1 iso 1 dist 8.85416 12.1186 5.66803 11.6323 5.1488 5.68492 numMergedOcc 0
8 mol 64 unq 2 iso 0 dist 8.52643 5.76037 5.41357 11.5903 7.7933 6.10515 numMergedOcc 0
9 mol 64 unq 2 iso 1 dist 5.41357 5.76037 8.52643 6.10515 7.7933 11.5903 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 8.61089 12.6473 8.64686 7.71809 9.74201 15.6024 numMergedOcc 0
11 mol 79 unq 0 iso 1 dist 8.64686 12.6473 8.61089 15.6024 9.74201 7.71809 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 8.61089 12.6473 8.64686 9.41403 8.17967 13.7118 numMergedOcc 0
13 mol 79 unq 1 iso 1 dist 8.64686 12.6473 8.61089 13.7118 8.17967 9.41403 numMergedOcc 0
14 mol 87 unq 0 iso 0 dist 9.90256 6.69898 7.57471 7.62644 9.53368 5.5768 numMergedOcc 0
15 mol 87 unq 0 iso 1 dist 7.57471 6.69898 9.90256 5.5768 9.53368 7.62644 numMergedOcc 0
16 mol 87 unq 1 iso 0 dist 9.90256 6.69898 7.57471 10.8096 6.54532 4.56692 numMergedOcc 0
17 mol 87 unq 1 iso 1 dist 7.57471 6.69898 9.90256 4.56692 6.54532 10.8096 numMergedOcc 0
18 mol 114 unq 0 iso 0 dist 6.54778 8.36743 8.57909 5.84883 6.06039 6.14032 numMergedOcc 0
19 mol 114 unq 0 iso 1 dist 8.57909 8.36743 6.54778 6.14032 6.06039 5.84883 numMergedOcc 0
20 mol 114 unq 1 iso 0 dist 6.54778 8.36743 8.57909 10.9953 9.36502 5.47189 numMergedOcc 0
21 mol 114 unq 1 iso 1 dist 8.57909 8.36743 6.54778 5.47189 9.36502 10.9953 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 5.79195 12.1681 9.2759 7.50288 8.03691 8.01541 numMergedOcc 0
23 mol 133 unq 0 iso 1 dist 9.2759 12.1681 5.79195 8.01541 8.03691 7.50288 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 5.79195 9.34083 8.76088 7.50288 8.03691 5.31306 numMergedOcc 0
25 mol 133 unq 1 iso 1 dist 8.76088 9.34083 5.79195 5.31306 8.03691 7.50288 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 9.2759 11.2107 8.76088 8.01541 8.03691 5.31306 numMergedOcc 0
27 mol 133 unq 1 iso 1 dist 8.76088 11.2107 9.2759 5.31306 8.03691 8.01541 numMergedOcc 0
28 mol 140 unq 0 iso 0 dist 8.94921 11.1772 7.77669 11.703 5.8277 7.81164 numMergedOcc 0
29 mol 140 unq 0 iso 1 dist 7.77669 11.1772 8.94921 7.81164 5.8277 11.703 numMergedOcc 0
30 mol 148 unq 0 iso 0 dist 8.6953 10.8037 9.18753 6.43817 9.21934 6.16168 numMergedOcc 0
31 mol 148 unq 0 iso 1 dist 9.18753 10.8037 8.6953 6.16168 9.21934 6.43817 numMergedOcc 0
32 mol 150 unq 0 iso 0 dist 8.65967 10.8647 9.15244 6.48058 9.13113 6.14967 numMergedOcc 0
33 mol 150 unq 0 iso 1 dist 9.15244 10.8647 8.65967 6.14967 9.13113 6.48058 numMergedOcc 0
34 mol 165 unq 0 iso 0 dist 9.8755 11.6064 7.21397 11.9518 8.45742 9.55225 numMergedOcc 0
35 mol 165 unq 0 iso 1 dist 7.21397 11.6064 9.8755 9.55225 8.45742 11.9518 numMergedOcc 0
36 mol 165 unq 1 iso 0 dist 9.8755 8.38499 8.46714 11.9518 8.45742 4.37998 numMergedOcc 0
37 mol 165 unq 1 iso 1 dist 8.46714 8.38499 9.8755 4.37998 8.45742 11.9518 numMergedOcc 0
38 mol 165 unq 1 iso 0 dist 7.21397 8.33453 8.46714 9.55225 8.45742 4.37998 numMergedOcc 0
39 mol 165 unq 1 iso 1 dist 8.46714 8.33453 7.21397 4.37998 8.45742 9.55225 numMergedOcc 0
40 mol 204 unq 0 iso 0 dist 6.62514 8.63339 6.20044 10.239 6.35305 5.64245 numMergedOcc 0
41 mol 204 unq 0 iso 1 dist 6.20044 8.63339 6.62514 5.64245 6.35305 10.239 numMergedOcc 0
42 mol 204 unq 1 iso 0 dist 6.62514 7.41625 9.41996 10.239 6.35305 8.90839 numMergedOcc 0
43 mol 204 unq 1 iso 1 dist 9.41996 7.41625 6.62514 8.90839 6.35305 10.239 numMergedOcc 0
44 mol 204 unq 1 iso 0 dist 6.20044 11.09 9.41996 5.64245 6.35305 8.90839 numMergedOcc 0
45 mol 204 unq 1 iso 1 dist 9.41996 11.09 6.20044 8.90839 6.35305 5.64245 numMergedOcc 0
46 mol 224 unq 0 iso 0 dist 6.23677 5.49559 9.04741 4.10214 7.49889 8.4959 numMergedOcc 0
47 mol 224 unq 0 iso 1 dist 9.04741 5.49559 6.23677 8.4959 7.49889 4.10214 numMergedOcc 0
48 mol 224 unq 1 iso 0 dist 6.23677 5.49559 9.04741 6.78713 9.89345 10.2748 numMergedOcc 0
49 mol 224 unq 1 iso 1 dist 9.04741 5.49559 6.23677 10.2748 9.89345 6.78713 numMergedOcc 0
50 mol 224 unq 2 iso 0 dist 6.23677 5.92863 7.31608 4.10214 7.49889 9.93861 numMergedOcc 0
51 mol 224 unq 2 iso 1 dist 7.31608 5.92863 6.23677 9.93861 7.49889 4.10214 numMergedOcc 0
52 mol 224 unq 3 iso 0 dist 6.23677 5.92863 7.31608 6.78713 9.89345 7.09867 numMergedOcc 0
53 mol 224 unq 3 iso 1 dist 7.31608 5.92863 6.23677 7.09867 9.89345 6.78713 numMergedOcc 0
54 mol 224 unq 2 iso 0 dist 9.04741 5.57847 7.31608 8.4959 7.49889 9.93861 numMergedOcc 0
55 mol 224 unq 2 iso 1 dist 7.31608 5.57847 9.04741 9.93861 7.49889 8.4959 numMergedOcc 0
56 mol 224 unq 3 iso 0 dist 9.04741 5.57847 7.31608 10.2748 9.89345 7.09867 numMergedOcc 0
57 mol 224 unq 3 iso 1 dist 7.31608 5.57847 9.04741 7.09867 9.89345 10.2748 numMergedOcc 0
58 mol 243 unq 0 iso 0 dist 4.64178 10.9243 9.16988 10.8902 8.75924 5.83664 numMergedOcc 0
59 mol 243 unq 0 iso 1 dist 9.16988 10.9243 4.64178 5.83664 8.75924 10.8902 numMergedOcc 0
60 mol 266 unq 0 iso 0 dist 6.57444 13.1611 9.39714 5.53503 9.35019 11.3259 numMergedOcc 0
61 mol 266 unq 0 iso 1 dist 9.39714 13.1611 6.57444 11.3259 9.35019 5.53503 numMergedOcc 0
62 mol 282 unq 0 iso 0 dist 9.98886 5.92133 6.81887 10.1569 5.98155 4.54514 numMergedOcc 0
63 mol 282 unq 0 iso 1 dist 6.81887 5.92133 9.98886 4.54514 5.98155 10.1569 numMergedOcc 0
