0 mol 59 unq 0 iso 0 dist 5.70814 3.60121 5.58384 6.8958 6.48625 5.85228 numMergedOcc 0
1 mol 59 unq 0 iso 1 dist 5.58384 3.60121 5.70814 5.85228 6.48625 6.8958 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.67403 15.8202 7.28917 4.90701 9.62468 16.7918 numMergedOcc 0
3 mol 61 unq 0 iso 1 dist 7.28917 15.8202 9.67403 16.7918 9.62468 4.90701 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 6.23298 5.32316 9.85405 11.8103 9.9348 10.4042 numMergedOcc 0
5 mol 67 unq 0 iso 1 dist 9.85405 5.32316 6.23298 10.4042 9.9348 11.8103 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 5.58346 9.96948 9.66744 4.69583 6.89722 8.59095 numMergedOcc 0
7 mol 73 unq 0 iso 1 dist 9.66744 9.96948 5.58346 8.59095 6.89722 4.69583 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 9.78545 7.44316 9.97998 14.2026 9.58544 9.27925 numMergedOcc 0
9 mol 73 unq 1 iso 1 dist 9.97998 7.44316 9.78545 9.27925 9.58544 14.2026 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 9.93688 7.35589 9.88184 4.71849 9.514 9.24395 numMergedOcc 0
11 mol 92 unq 0 iso 1 dist 9.88184 7.35589 9.93688 9.24395 9.514 4.71849 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 9.93688 7.35589 9.88184 4.32564 7.84888 4.33359 numMergedOcc 0
13 mol 92 unq 1 iso 1 dist 9.88184 7.35589 9.93688 4.33359 7.84888 4.32564 numMergedOcc 0
14 mol 92 unq 2 iso 0 dist 6.78043 4.13723 5.74364 7.17015 4.98104 4.52119 numMergedOcc 0
15 mol 92 unq 2 iso 1 dist 5.74364 4.13723 6.78043 4.52119 4.98104 7.17015 numMergedOcc 0
16 mol 102 unq 0 iso 0 dist 8.07962 5.31804 7.58908 8.58092 9.01767 12.5781 numMergedOcc 0
17 mol 102 unq 0 iso 1 dist 7.58908 5.31804 8.07962 12.5781 9.01767 8.58092 numMergedOcc 0
18 mol 102 unq 1 iso 0 dist 9.54857 5.31804 9.32058 7.54459 9.43411 11.0171 numMergedOcc 0
19 mol 102 unq 1 iso 1 dist 9.32058 5.31804 9.54857 11.0171 9.43411 7.54459 numMergedOcc 0
20 mol 102 unq 2 iso 0 dist 9.54857 5.31804 9.32058 8.58092 9.80678 12.5781 numMergedOcc 0
21 mol 102 unq 2 iso 1 dist 9.32058 5.31804 9.54857 12.5781 9.80678 8.58092 numMergedOcc 0
22 mol 108 unq 0 iso 0 dist 5.52402 7.80411 6.79804 4.93762 7.29462 12.0414 numMergedOcc 0
23 mol 108 unq 0 iso 1 dist 6.79804 7.80411 5.52402 12.0414 7.29462 4.93762 numMergedOcc 0
24 mol 109 unq 0 iso 0 dist 7.66832 6.14668 8.11083 9.47324 8.21889 12.7688 numMergedOcc 0
25 mol 109 unq 0 iso 1 dist 8.11083 6.14668 7.66832 12.7688 8.21889 9.47324 numMergedOcc 0
26 mol 109 unq 1 iso 0 dist 7.66832 6.14668 8.11083 4.93112 9.74643 10.5733 numMergedOcc 0
27 mol 109 unq 1 iso 1 dist 8.11083 6.14668 7.66832 10.5733 9.74643 4.93112 numMergedOcc 0
28 mol 109 unq 2 iso 0 dist 7.66832 6.14668 8.11083 4.48038 6.86702 4.76017 numMergedOcc 0
29 mol 109 unq 2 iso 1 dist 8.11083 6.14668 7.66832 4.76017 6.86702 4.48038 numMergedOcc 0
30 mol 110 unq 0 iso 0 dist 6.70591 4.7071 5.43052 6.12546 7.21229 9.24029 numMergedOcc 0
31 mol 110 unq 0 iso 1 dist 5.43052 4.7071 6.70591 9.24029 7.21229 6.12546 numMergedOcc 0
32 mol 110 unq 1 iso 0 dist 6.70591 4.7071 5.43052 6.39786 5.25492 8.50777 numMergedOcc 0
33 mol 110 unq 1 iso 1 dist 5.43052 4.7071 6.70591 8.50777 5.25492 6.39786 numMergedOcc 0
34 mol 133 unq 0 iso 0 dist 6.85651 7.57921 7.03858 4.84607 8.84018 11.981 numMergedOcc 0
35 mol 133 unq 0 iso 1 dist 7.03858 7.57921 6.85651 11.981 8.84018 4.84607 numMergedOcc 0
36 mol 133 unq 1 iso 0 dist 9.21256 5.01776 8.3243 13.46 6.11955 13.7612 numMergedOcc 0
37 mol 133 unq 1 iso 1 dist 8.3243 5.01776 9.21256 13.7612 6.11955 13.46 numMergedOcc 0
38 mol 133 unq 2 iso 0 dist 9.21256 11.3944 8.95239 13.46 6.11955 12.9605 numMergedOcc 0
39 mol 133 unq 2 iso 1 dist 8.95239 11.3944 9.21256 12.9605 6.11955 13.46 numMergedOcc 0
40 mol 133 unq 3 iso 0 dist 9.21256 10.5425 6.23615 13.46 6.11955 4.64588 numMergedOcc 0
41 mol 133 unq 3 iso 1 dist 6.23615 10.5425 9.21256 4.64588 6.11955 13.46 numMergedOcc 0
42 mol 133 unq 2 iso 0 dist 8.3243 7.3347 8.95239 13.7612 6.11955 12.9605 numMergedOcc 0
43 mol 133 unq 2 iso 1 dist 8.95239 7.3347 8.3243 12.9605 6.11955 13.7612 numMergedOcc 0
44 mol 133 unq 3 iso 0 dist 8.3243 12.3753 6.23615 13.7612 6.11955 4.64588 numMergedOcc 0
45 mol 133 unq 3 iso 1 dist 6.23615 12.3753 8.3243 4.64588 6.11955 13.7612 numMergedOcc 0
46 mol 133 unq 3 iso 0 dist 8.95239 14.0664 6.23615 12.9605 6.11955 4.64588 numMergedOcc 0
47 mol 133 unq 3 iso 1 dist 6.23615 14.0664 8.95239 4.64588 6.11955 12.9605 numMergedOcc 0
48 mol 180 unq 0 iso 0 dist 5.43774 5.33436 8.31061 6.54937 8.44989 6.91082 numMergedOcc 0
49 mol 180 unq 0 iso 1 dist 8.31061 5.33436 5.43774 6.91082 8.44989 6.54937 numMergedOcc 0
50 mol 183 unq 0 iso 0 dist 9.92635 3.75614 7.85507 10.0008 7.31181 9.95614 numMergedOcc 0
51 mol 183 unq 0 iso 1 dist 7.85507 3.75614 9.92635 9.95614 7.31181 10.0008 numMergedOcc 0
52 mol 197 unq 0 iso 0 dist 6.50727 5.3979 7.84826 4.83116 9.5331 10.1332 numMergedOcc 0
53 mol 197 unq 0 iso 1 dist 7.84826 5.3979 6.50727 10.1332 9.5331 4.83116 numMergedOcc 0
54 mol 197 unq 1 iso 0 dist 5.79753 10.6986 7.56537 13.0113 8.64255 4.57437 numMergedOcc 0
55 mol 197 unq 1 iso 1 dist 7.56537 10.6986 5.79753 4.57437 8.64255 13.0113 numMergedOcc 0
56 mol 230 unq 0 iso 0 dist 6.61442 4.44367 7.10283 10.3251 8.43766 6.51645 numMergedOcc 0
57 mol 230 unq 0 iso 1 dist 7.10283 4.44367 6.61442 6.51645 8.43766 10.3251 numMergedOcc 0
58 mol 232 unq 0 iso 0 dist 6.11539 9.60695 9.71082 5.70808 8.68464 4.86949 numMergedOcc 0
59 mol 232 unq 0 iso 1 dist 9.71082 9.60695 6.11539 4.86949 8.68464 5.70808 numMergedOcc 0
60 mol 257 unq 0 iso 0 dist 8.43067 5.6769 7.6127 4.37426 4.97263 5.03065 numMergedOcc 0
61 mol 257 unq 0 iso 1 dist 7.6127 5.6769 8.43067 5.03065 4.97263 4.37426 numMergedOcc 0
62 mol 257 unq 1 iso 0 dist 8.43067 5.6769 7.6127 5.8531 5.36776 5.98419 numMergedOcc 0
63 mol 257 unq 1 iso 1 dist 7.6127 5.6769 8.43067 5.98419 5.36776 5.8531 numMergedOcc 0
64 mol 259 unq 0 iso 0 dist 5.22111 5.25523 8.53598 5.41945 7.93997 10.2837 numMergedOcc 0
65 mol 259 unq 0 iso 1 dist 8.53598 5.25523 5.22111 10.2837 7.93997 5.41945 numMergedOcc 0
66 mol 264 unq 0 iso 0 dist 8.05522 14.4112 9.8799 5.428 9.01085 11.079 numMergedOcc 0
67 mol 264 unq 0 iso 1 dist 9.8799 14.4112 8.05522 11.079 9.01085 5.428 numMergedOcc 0
68 mol 264 unq 1 iso 0 dist 8.05522 14.4112 9.8799 4.75604 6.28512 12.5841 numMergedOcc 0
69 mol 264 unq 1 iso 1 dist 9.8799 14.4112 8.05522 12.5841 6.28512 4.75604 numMergedOcc 0
