0 mol 53 unq 0 iso 0 dist 7.94701 5.07389 5.63499 11.4652 5.55291 7.28228 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 9.33989 6.69911 6.55112 9.71952 8.73236 8.13108 numMergedOcc 0
2 mol 76 unq 1 iso 0 dist 8.57953 3.94216 6.55112 7.28257 8.73236 8.13108 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 5.81553 3.82552 6.6536 10.5503 10.8268 7.7988 numMergedOcc 0
4 mol 112 unq 1 iso 0 dist 5.81553 3.82552 6.6536 10.5069 11.179 9.40824 numMergedOcc 0
5 mol 112 unq 2 iso 0 dist 5.81553 3.82552 6.6536 5.17585 4.87668 4.22363 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 8.79677 13.0649 8.40389 13.0299 5.0333 5.7144 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 5.73946 5.33827 7.84768 5.02717 4.75197 7.69765 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.48694 17.5356 8.88752 19.6862 10.9364 8.77023 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 6.65267 3.84992 8.88752 9.84918 10.9364 8.77023 numMergedOcc 0
10 mol 155 unq 0 iso 0 dist 8.02356 5.05961 8.99128 12.6683 14.7612 8.97626 numMergedOcc 0
11 mol 168 unq 0 iso 0 dist 5.60956 8.01699 5.51167 13.3351 10.9775 6.02086 numMergedOcc 0
12 mol 170 unq 0 iso 0 dist 9.05865 10.2179 9.66676 17.3351 11.4871 9.08274 numMergedOcc 0
13 mol 170 unq 1 iso 0 dist 9.05865 10.2179 9.66676 13.6682 6.45787 9.51256 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 5.13534 4.76079 5.97971 10.8641 10.8374 9.01624 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 5.13534 4.76079 5.97971 7.41378 4.62576 5.05973 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 6.36789 9.03587 8.09915 10.799 5.25279 9.3498 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 6.36789 9.03587 8.09915 13.8056 9.29114 7.05695 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 5.81277 11.8763 9.79826 14.2689 14.1866 7.21137 numMergedOcc 0
19 mol 205 unq 1 iso 0 dist 5.81277 11.8763 9.79826 17.0855 13.0749 8.4844 numMergedOcc 0
20 mol 205 unq 2 iso 0 dist 8.47833 6.10058 7.53734 10.044 13.6728 7.21137 numMergedOcc 0
21 mol 205 unq 3 iso 0 dist 8.47833 6.10058 7.53734 12.1752 7.78052 8.4844 numMergedOcc 0
22 mol 205 unq 4 iso 0 dist 5.05912 6.10058 9.79826 10.044 14.1866 7.21137 numMergedOcc 0
23 mol 205 unq 5 iso 0 dist 5.05912 6.10058 9.79826 12.1752 13.0749 8.4844 numMergedOcc 0
24 mol 205 unq 6 iso 0 dist 5.47586 3.50446 7.53734 8.84602 13.6728 7.21137 numMergedOcc 0
25 mol 205 unq 7 iso 0 dist 5.47586 3.50446 7.53734 8.10287 7.78052 8.4844 numMergedOcc 0
26 mol 205 unq 8 iso 0 dist 6.60429 3.50446 9.79826 8.84602 14.1866 7.21137 numMergedOcc 0
27 mol 205 unq 9 iso 0 dist 6.60429 3.50446 9.79826 8.10287 13.0749 8.4844 numMergedOcc 0
28 mol 222 unq 0 iso 0 dist 4.87053 4.91709 7.99441 7.85877 9.84386 5.56538 numMergedOcc 0
29 mol 222 unq 1 iso 0 dist 4.87053 5.96186 6.71817 7.85877 9.84386 7.48954 numMergedOcc 0
30 mol 225 unq 0 iso 0 dist 6.97662 9.92088 8.69052 12.2756 10.3976 8.14831 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 5.83514 3.68226 5.52788 11.6545 10.313 9.12776 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 5.83514 3.68226 5.52788 10.2894 7.04671 9.72188 numMergedOcc 0
