0 mol 24 unq 0 iso 0 dist 8.10063 6.09311 8.11143 6.32779 6.22149 9.74777 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.88399 3.94196 5.65754 6.94728 6.74888 5.11382 numMergedOcc 0
2 mol 37 unq 0 iso 0 dist 6.48296 6.96814 4.07334 8.28713 4.2096 6.32052 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 9.12873 3.30756 7.93498 7.61513 5.30715 8.51839 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 6.27877 3.81285 7.51319 7.52742 4.75717 6.56288 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 6.27877 6.17121 8.49887 7.52742 4.75717 5.97559 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 6.67776 3.27874 5.23929 9.00874 6.11046 8.92653 numMergedOcc 0
7 mol 104 unq 0 iso 0 dist 7.15143 4.07581 9.43136 9.71834 5.83615 9.58427 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 5.68406 6.8842 9.57243 9.1717 8.04699 5.86693 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 9.46329 5.05002 9.57243 8.8319 8.04699 5.86693 numMergedOcc 0
10 mol 158 unq 0 iso 0 dist 8.6903 5.94889 9.27714 13.2004 11.1698 8.24681 numMergedOcc 0
11 mol 158 unq 1 iso 0 dist 8.6903 5.94889 9.27714 10.3574 10.0941 6.51748 numMergedOcc 0
12 mol 176 unq 0 iso 0 dist 9.24242 3.71345 8.79752 11.9375 5.28982 9.81187 numMergedOcc 0
13 mol 176 unq 1 iso 0 dist 9.24242 3.71345 8.79752 6.21825 5.34777 4.67031 numMergedOcc 0
14 mol 176 unq 2 iso 0 dist 9.24242 3.71345 8.79752 10.3093 7.10023 9.49412 numMergedOcc 0
15 mol 176 unq 3 iso 0 dist 9.24242 8.25138 7.29985 6.21825 5.34777 8.98043 numMergedOcc 0
16 mol 176 unq 4 iso 0 dist 9.24242 7.10617 7.58281 11.9375 5.28982 8.77405 numMergedOcc 0
17 mol 176 unq 5 iso 0 dist 9.24242 7.10617 7.58281 6.21825 5.34777 6.8243 numMergedOcc 0
18 mol 176 unq 6 iso 0 dist 9.24242 10.5042 8.8756 11.9375 5.28982 8.5107 numMergedOcc 0
19 mol 176 unq 7 iso 0 dist 9.24242 10.5042 8.8756 6.21825 5.34777 8.90797 numMergedOcc 0
20 mol 176 unq 8 iso 0 dist 6.74185 11.1744 8.79752 10.6624 5.28982 9.81187 numMergedOcc 0
21 mol 176 unq 9 iso 0 dist 6.74185 11.1744 8.79752 10.3602 5.34777 4.67031 numMergedOcc 0
22 mol 176 unq 10 iso 0 dist 6.74185 11.1744 8.79752 13.6092 7.10023 9.49412 numMergedOcc 0
23 mol 176 unq 11 iso 0 dist 6.74185 3.52268 7.29985 10.3602 5.34777 8.98043 numMergedOcc 0
24 mol 176 unq 12 iso 0 dist 6.74185 7.39809 7.58281 10.6624 5.28982 8.77405 numMergedOcc 0
25 mol 176 unq 13 iso 0 dist 6.74185 7.39809 7.58281 10.3602 5.34777 6.8243 numMergedOcc 0
26 mol 176 unq 14 iso 0 dist 6.74185 8.44347 8.8756 10.6624 5.28982 8.5107 numMergedOcc 0
27 mol 176 unq 15 iso 0 dist 6.74185 8.44347 8.8756 10.3602 5.34777 8.90797 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 8.8078 15.2302 9.26192 17.8612 14.5106 9.98617 numMergedOcc 0
29 mol 204 unq 1 iso 0 dist 6.97502 3.88406 9.26192 12.7803 14.5106 9.98617 numMergedOcc 0
30 mol 233 unq 0 iso 0 dist 5.79204 5.74821 6.33954 6.28379 5.20211 6.45095 numMergedOcc 0
31 mol 252 unq 0 iso 0 dist 8.85493 14.3597 9.09279 13.4978 6.07355 5.2116 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 8.08479 9.63536 4.95415 13.4878 6.58663 7.43884 numMergedOcc 0
33 mol 292 unq 0 iso 0 dist 8.60635 6.85091 9.29687 15.9238 14.8361 9.15937 numMergedOcc 0
