0 mol 10 unq 0 iso 0 dist 9.88507 9.97671 10.9227 11.9782 5.40169 15.4218 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.39017 9.6451 10.772 6.92682 8.00369 14.511 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 9.39017 5.8369 11.9147 6.92682 8.00369 12.1092 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 8.50475 9.55284 3.50984 10.8275 7.59316 6.84514 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 7.66163 7.33788 5.39812 11.4765 7.59316 12.1949 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 7.66163 9.74351 3.59761 11.4765 7.59316 10.7969 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 7.66163 7.36877 3.50984 11.4765 7.59316 6.84514 numMergedOcc 0
7 mol 48 unq 4 iso 0 dist 9.48288 8.52681 5.39812 15.0853 7.59316 12.1949 numMergedOcc 0
8 mol 48 unq 5 iso 0 dist 9.48288 9.98769 3.59761 15.0853 7.59316 10.7969 numMergedOcc 0
9 mol 48 unq 6 iso 0 dist 7.1796 9.21776 3.60121 11.309 7.51285 10.6906 numMergedOcc 0
10 mol 48 unq 7 iso 0 dist 7.1796 9.21776 3.60121 6.08398 8.86698 10.4497 numMergedOcc 0
11 mol 48 unq 8 iso 0 dist 7.1796 6.89752 3.65036 11.309 7.51285 7.05619 numMergedOcc 0
12 mol 48 unq 9 iso 0 dist 7.1796 6.89752 3.65036 6.08398 8.86698 10.689 numMergedOcc 0
13 mol 48 unq 10 iso 0 dist 7.1796 6.85843 5.37655 11.309 7.51285 12.1973 numMergedOcc 0
14 mol 48 unq 11 iso 0 dist 7.1796 6.85843 5.37655 6.08398 8.86698 10.5084 numMergedOcc 0
15 mol 48 unq 12 iso 0 dist 9.16212 9.40291 3.60121 15.0743 7.51285 10.6906 numMergedOcc 0
16 mol 48 unq 13 iso 0 dist 9.16212 9.40291 3.60121 5.11472 8.86698 10.4497 numMergedOcc 0
17 mol 48 unq 14 iso 0 dist 9.16212 7.94814 5.37655 15.0743 7.51285 12.1973 numMergedOcc 0
18 mol 48 unq 15 iso 0 dist 9.16212 7.94814 5.37655 5.11472 8.86698 10.5084 numMergedOcc 0
19 mol 48 unq 16 iso 0 dist 9.16212 9.55632 8.48119 15.0743 7.51285 15.0604 numMergedOcc 0
20 mol 48 unq 17 iso 0 dist 9.16212 9.55632 8.48119 5.11472 8.86698 13.0631 numMergedOcc 0
21 mol 79 unq 0 iso 0 dist 7.68741 6.64921 9.08423 10.0663 9.36156 14.6636 numMergedOcc 0
22 mol 130 unq 0 iso 0 dist 7.7461 9.58166 3.90693 15.4306 8.91311 10.5111 numMergedOcc 0
23 mol 131 unq 0 iso 0 dist 9.75061 7.34765 4.94367 6.32847 5.39061 4.48699 numMergedOcc 0
24 mol 171 unq 0 iso 0 dist 8.29782 9.73554 15.2115 11.1711 7.32555 18.8683 numMergedOcc 0
25 mol 173 unq 0 iso 0 dist 8.14167 9.19939 8.66075 6.35871 8.03528 13.6005 numMergedOcc 0
26 mol 203 unq 0 iso 0 dist 8.8083 9.58652 6.58744 4.58862 7.94843 11.4565 numMergedOcc 0
27 mol 204 unq 0 iso 0 dist 7.59757 8.98633 6.52211 4.80028 5.91727 9.92086 numMergedOcc 0
28 mol 256 unq 0 iso 0 dist 9.74449 7.44294 7.27053 12.6516 9.66027 15.0256 numMergedOcc 0
29 mol 256 unq 1 iso 0 dist 9.74449 9.62515 5.51548 12.6516 9.66027 14.1543 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 9.35976 9.07744 15.4432 14.2523 7.85414 19.3085 numMergedOcc 0
