0 mol 15 unq 0 iso 0 dist 5.72359 6.16313 8.111 4.21233 5.7147 3.75721 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 6.26048 5.68513 8.111 6.03598 5.7147 3.75721 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 7.93454 10.6266 7.18022 3.63648 9.41098 13.1004 numMergedOcc 0
3 mol 38 unq 0 iso 0 dist 6.12374 6.12182 7.26639 4.46801 7.00717 10.028 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 6.89527 6.27668 8.3733 7.68524 5.88409 4.04753 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 9.77648 8.93735 5.99857 17.1322 9.08745 8.67853 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 9.77648 12.4431 6.9362 17.1322 9.08745 10.8149 numMergedOcc 0
7 mol 69 unq 2 iso 0 dist 9.18161 5.08122 5.99857 6.25587 9.08745 8.67853 numMergedOcc 0
8 mol 69 unq 3 iso 0 dist 9.18161 9.69519 6.9362 6.25587 9.08745 10.8149 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 8.25047 6.4988 8.23026 8.58059 5.45099 4.27653 numMergedOcc 0
10 mol 76 unq 1 iso 0 dist 8.25047 6.4988 8.23026 14.7497 8.44765 10.934 numMergedOcc 0
11 mol 76 unq 2 iso 0 dist 8.25047 6.4988 8.23026 14.3572 9.06643 11.8887 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 5.46186 10.2851 9.22631 3.99275 8.30921 9.12539 numMergedOcc 0
13 mol 93 unq 1 iso 0 dist 5.46186 10.2851 9.22631 6.46195 7.39732 4.25258 numMergedOcc 0
14 mol 93 unq 2 iso 0 dist 5.46186 10.2851 9.22631 10.4525 9.67744 3.5172 numMergedOcc 0
15 mol 95 unq 0 iso 0 dist 5.82551 9.34745 9.11586 5.47525 8.72957 6.28746 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 7.63284 4.70157 7.02507 12.7121 7.14813 9.71703 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.28282 11.3614 7.2793 12.5023 9.34653 4.04122 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 7.9002 10.0712 8.1945 13.7057 8.74463 14.2198 numMergedOcc 0
19 mol 225 unq 1 iso 0 dist 7.9002 6.7444 6.50998 13.7057 8.74463 9.72811 numMergedOcc 0
20 mol 243 unq 0 iso 0 dist 8.8602 9.51148 8.69318 12.159 9.53137 16.0709 numMergedOcc 0
21 mol 243 unq 1 iso 0 dist 7.13476 11.3833 8.69318 5.38511 9.53137 16.0709 numMergedOcc 0
22 mol 243 unq 2 iso 0 dist 9.49016 6.50608 8.69318 18.1416 9.53137 16.0709 numMergedOcc 0
23 mol 264 unq 0 iso 0 dist 6.66615 5.2836 5.90924 3.9472 8.55386 8.3189 numMergedOcc 0
24 mol 264 unq 1 iso 0 dist 6.66615 4.53426 5.90058 3.9472 8.55386 3.35448 numMergedOcc 0
25 mol 264 unq 2 iso 0 dist 6.66615 13.628 9.58916 3.9472 8.55386 16.639 numMergedOcc 0
