0 mol 59 unq 0 iso 0 dist 5.70814 3.60121 5.58384 6.8958 6.48625 5.85228 7.7978 6.34264 9.55751 7.17396 numMergedOcc 0
1 mol 59 unq 0 iso 1 dist 5.58384 3.60121 5.70814 5.85228 6.48625 6.8958 9.55751 6.34264 7.7978 7.17396 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 5.70814 3.60121 5.58384 6.8958 6.48625 5.85228 10.3954 5.30842 10.7234 9.21998 numMergedOcc 0
3 mol 59 unq 1 iso 1 dist 5.58384 3.60121 5.70814 5.85228 6.48625 6.8958 10.7234 5.30842 10.3954 9.21998 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 9.67403 15.8202 7.28917 4.90701 9.62468 16.7918 11.0419 10.7369 17.6513 6.65721 numMergedOcc 0
5 mol 61 unq 0 iso 1 dist 7.28917 15.8202 9.67403 16.7918 9.62468 4.90701 17.6513 10.7369 11.0419 6.65721 numMergedOcc 0
6 mol 61 unq 1 iso 0 dist 9.67403 15.8202 7.28917 4.90701 9.62468 16.7918 8.46556 11.5608 18.1412 6.72123 numMergedOcc 0
7 mol 61 unq 1 iso 1 dist 7.28917 15.8202 9.67403 16.7918 9.62468 4.90701 18.1412 11.5608 8.46556 6.72123 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 5.58346 9.96948 9.66744 4.69583 6.89722 8.59095 11.0671 10.4716 17.4799 9.96396 numMergedOcc 0
9 mol 73 unq 0 iso 1 dist 9.66744 9.96948 5.58346 8.59095 6.89722 4.69583 17.4799 10.4716 11.0671 9.96396 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 5.58346 9.96948 9.66744 4.69583 6.89722 8.59095 6.18305 5.2774 12.9661 6.19304 numMergedOcc 0
11 mol 73 unq 1 iso 1 dist 9.66744 9.96948 5.58346 8.59095 6.89722 4.69583 12.9661 5.2774 6.18305 6.19304 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 5.58346 9.96948 9.66744 4.69583 6.89722 8.59095 13.2599 13.9156 10.1147 8.70481 numMergedOcc 0
13 mol 73 unq 2 iso 1 dist 9.66744 9.96948 5.58346 8.59095 6.89722 4.69583 10.1147 13.9156 13.2599 8.70481 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 9.93688 7.35589 9.88184 4.71849 9.514 9.24395 11.0291 11.8037 16.1796 7.4729 numMergedOcc 0
15 mol 92 unq 0 iso 1 dist 9.88184 7.35589 9.93688 9.24395 9.514 4.71849 16.1796 11.8037 11.0291 7.4729 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 6.78043 4.13723 5.74364 7.17015 4.98104 4.52119 13.8155 10.7572 11.8917 7.4729 numMergedOcc 0
17 mol 92 unq 1 iso 1 dist 5.74364 4.13723 6.78043 4.52119 4.98104 7.17015 11.8917 10.7572 13.8155 7.4729 numMergedOcc 0
18 mol 92 unq 2 iso 0 dist 6.78043 4.13723 5.74364 7.17015 4.98104 4.52119 11.9838 5.50764 9.79361 6.82344 numMergedOcc 0
19 mol 92 unq 2 iso 1 dist 5.74364 4.13723 6.78043 4.52119 4.98104 7.17015 9.79361 5.50764 11.9838 6.82344 numMergedOcc 0
20 mol 102 unq 0 iso 0 dist 8.07962 5.31804 7.58908 8.58092 9.01767 12.5781 11.1118 6.42572 12.0912 7.36792 numMergedOcc 0
21 mol 102 unq 0 iso 1 dist 7.58908 5.31804 8.07962 12.5781 9.01767 8.58092 12.0912 6.42572 11.1118 7.36792 numMergedOcc 0
22 mol 102 unq 1 iso 0 dist 9.54857 5.31804 9.32058 8.58092 9.80678 12.5781 11.1118 5.54551 12.0912 7.36792 numMergedOcc 0
23 mol 102 unq 1 iso 1 dist 9.32058 5.31804 9.54857 12.5781 9.80678 8.58092 12.0912 5.54551 11.1118 7.36792 numMergedOcc 0
24 mol 109 unq 0 iso 0 dist 7.66832 6.14668 8.11083 9.47324 8.21889 12.7688 8.73648 5.5332 12.2141 7.34473 numMergedOcc 0
25 mol 109 unq 0 iso 1 dist 8.11083 6.14668 7.66832 12.7688 8.21889 9.47324 12.2141 5.5332 8.73648 7.34473 numMergedOcc 0
26 mol 109 unq 1 iso 0 dist 7.66832 6.14668 8.11083 4.93112 9.74643 10.5733 8.73648 5.5332 12.2141 8.58044 numMergedOcc 0
27 mol 109 unq 1 iso 1 dist 8.11083 6.14668 7.66832 10.5733 9.74643 4.93112 12.2141 5.5332 8.73648 8.58044 numMergedOcc 0
28 mol 109 unq 2 iso 0 dist 7.66832 6.14668 8.11083 4.48038 6.86702 4.76017 8.73648 5.5332 12.2141 9.97763 numMergedOcc 0
29 mol 109 unq 2 iso 1 dist 8.11083 6.14668 7.66832 4.76017 6.86702 4.48038 12.2141 5.5332 8.73648 9.97763 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 6.85651 7.57921 7.03858 4.84607 8.84018 11.981 9.3894 8.00493 14.1938 6.5107 numMergedOcc 0
31 mol 133 unq 0 iso 1 dist 7.03858 7.57921 6.85651 11.981 8.84018 4.84607 14.1938 8.00493 9.3894 6.5107 numMergedOcc 0
32 mol 133 unq 1 iso 0 dist 9.21256 5.01776 8.3243 13.46 6.11955 13.7612 9.84918 7.96098 11.3707 6.80239 numMergedOcc 0
33 mol 133 unq 1 iso 1 dist 8.3243 5.01776 9.21256 13.7612 6.11955 13.46 11.3707 7.96098 9.84918 6.80239 numMergedOcc 0
34 mol 133 unq 2 iso 0 dist 9.21256 11.3944 8.95239 13.46 6.11955 12.9605 9.84918 7.96098 11.8159 6.80239 numMergedOcc 0
35 mol 133 unq 2 iso 1 dist 8.95239 11.3944 9.21256 12.9605 6.11955 13.46 11.8159 7.96098 9.84918 6.80239 numMergedOcc 0
36 mol 133 unq 3 iso 0 dist 9.21256 10.5425 6.23615 13.46 6.11955 4.64588 9.84918 7.96098 5.82404 6.80239 numMergedOcc 0
37 mol 133 unq 3 iso 1 dist 6.23615 10.5425 9.21256 4.64588 6.11955 13.46 5.82404 7.96098 9.84918 6.80239 numMergedOcc 0
38 mol 133 unq 2 iso 0 dist 8.3243 7.3347 8.95239 13.7612 6.11955 12.9605 11.3707 7.96098 11.8159 6.80239 numMergedOcc 0
39 mol 133 unq 2 iso 1 dist 8.95239 7.3347 8.3243 12.9605 6.11955 13.7612 11.8159 7.96098 11.3707 6.80239 numMergedOcc 0
40 mol 133 unq 3 iso 0 dist 8.3243 12.3753 6.23615 13.7612 6.11955 4.64588 11.3707 7.96098 5.82404 6.80239 numMergedOcc 0
41 mol 133 unq 3 iso 1 dist 6.23615 12.3753 8.3243 4.64588 6.11955 13.7612 5.82404 7.96098 11.3707 6.80239 numMergedOcc 0
42 mol 133 unq 3 iso 0 dist 8.95239 14.0664 6.23615 12.9605 6.11955 4.64588 11.8159 7.96098 5.82404 6.80239 numMergedOcc 0
43 mol 133 unq 3 iso 1 dist 6.23615 14.0664 8.95239 4.64588 6.11955 12.9605 5.82404 7.96098 11.8159 6.80239 numMergedOcc 0
44 mol 180 unq 0 iso 0 dist 5.43774 5.33436 8.31061 6.54937 8.44989 6.91082 9.88732 9.76368 5.77949 9.62337 numMergedOcc 0
45 mol 180 unq 0 iso 1 dist 8.31061 5.33436 5.43774 6.91082 8.44989 6.54937 5.77949 9.76368 9.88732 9.62337 numMergedOcc 0
46 mol 197 unq 0 iso 0 dist 5.79753 10.6986 7.56537 13.0113 8.64255 4.57437 16.0185 11.8861 12.5442 8.56633 numMergedOcc 0
47 mol 197 unq 0 iso 1 dist 7.56537 10.6986 5.79753 4.57437 8.64255 13.0113 12.5442 11.8861 16.0185 8.56633 numMergedOcc 0
48 mol 230 unq 0 iso 0 dist 6.61442 4.44367 7.10283 10.3251 8.43766 6.51645 11.5522 7.07028 9.97386 6.7547 numMergedOcc 0
49 mol 230 unq 0 iso 1 dist 7.10283 4.44367 6.61442 6.51645 8.43766 10.3251 9.97386 7.07028 11.5522 6.7547 numMergedOcc 0
50 mol 259 unq 0 iso 0 dist 5.22111 5.25523 8.53598 5.41945 7.93997 10.2837 10.5892 14.8465 13.5637 7.46176 numMergedOcc 0
51 mol 259 unq 0 iso 1 dist 8.53598 5.25523 5.22111 10.2837 7.93997 5.41945 13.5637 14.8465 10.5892 7.46176 numMergedOcc 0
