0 mol 69 unq 0 iso 0 dist 6.92837 10.3129 8.59353 5.29207 6.9362 13.914 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 9.43143 6.9491 7.60252 12.6194 7.12321 8.34938 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 6.86713 5.36123 6.12086 12.4753 8.27883 14.1258 numMergedOcc 0
3 mol 95 unq 1 iso 0 dist 6.86713 5.36123 6.12086 6.52247 5.75428 9.66145 numMergedOcc 0
4 mol 95 unq 2 iso 0 dist 6.86713 5.36123 6.12086 5.89506 8.57395 9.58465 numMergedOcc 0
5 mol 95 unq 3 iso 0 dist 6.86713 5.36123 6.12086 6.40728 9.85409 4.62357 numMergedOcc 0
6 mol 95 unq 4 iso 0 dist 6.86713 5.97198 7.93544 12.4753 8.27883 11.9393 numMergedOcc 0
7 mol 95 unq 5 iso 0 dist 6.86713 5.97198 7.93544 6.52247 5.75428 7.07287 numMergedOcc 0
8 mol 95 unq 6 iso 0 dist 6.86713 5.97198 7.93544 5.89506 8.57395 10.9926 numMergedOcc 0
9 mol 95 unq 7 iso 0 dist 6.86713 5.97198 7.93544 6.40728 9.85409 10.7612 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 9.26438 12.0163 5.8729 7.53887 7.07971 10.2645 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 6.43255 3.6217 5.8729 7.83378 7.07971 10.2645 numMergedOcc 0
12 mol 109 unq 2 iso 0 dist 7.4389 6.64703 5.8729 10.405 7.07971 10.2645 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 7.85583 5.44644 5.43031 10.864 8.47988 8.3383 numMergedOcc 0
14 mol 112 unq 1 iso 0 dist 7.85583 5.44644 5.43031 9.95307 8.0427 5.07427 numMergedOcc 0
15 mol 112 unq 2 iso 0 dist 8.86938 8.92091 5.43031 9.50897 8.47988 8.3383 numMergedOcc 0
16 mol 112 unq 3 iso 0 dist 8.86938 8.92091 5.43031 11.9673 8.0427 5.07427 numMergedOcc 0
17 mol 122 unq 0 iso 0 dist 8.47907 4.23094 5.94669 12.3287 6.00603 8.30405 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 9.00172 3.84472 6.2109 7.44092 8.77023 6.10716 numMergedOcc 0
19 mol 142 unq 0 iso 0 dist 8.86346 13.8363 6.90378 13.5413 7.81207 9.67929 numMergedOcc 0
20 mol 142 unq 1 iso 0 dist 8.86346 13.8363 6.90378 10.4327 7.18002 6.32951 numMergedOcc 0
21 mol 142 unq 2 iso 0 dist 4.93681 10.563 6.90378 9.85239 7.81207 9.67929 numMergedOcc 0
22 mol 142 unq 3 iso 0 dist 4.93681 10.563 6.90378 8.64092 7.18002 6.32951 numMergedOcc 0
23 mol 197 unq 0 iso 0 dist 6.18446 9.01592 9.24777 9.66766 9.10817 15.546 numMergedOcc 0
24 mol 197 unq 1 iso 0 dist 6.18446 9.01592 9.24777 7.69814 9.73548 9.12935 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 7.23956 13.9612 8.61945 8.60807 9.35539 12.6855 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 7.23956 13.9612 8.61945 10.3171 8.9682 15.9144 numMergedOcc 0
27 mol 277 unq 2 iso 0 dist 7.23956 13.9612 8.61945 10.6814 6.92711 13.156 numMergedOcc 0
28 mol 285 unq 0 iso 0 dist 9.82717 8.56772 9.25455 13.1909 7.80862 6.62906 numMergedOcc 0
29 mol 285 unq 1 iso 0 dist 8.33653 16.8132 9.25455 12.4844 7.80862 6.62906 numMergedOcc 0
30 mol 285 unq 2 iso 0 dist 6.44657 10.5523 9.25455 7.67857 7.80862 6.62906 numMergedOcc 0
