0 mol 26 unq 0 iso 0 dist 9.90242 9.07029 4.02057 8.69142 10.1664 10.5687 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 9.07029 9.90242 4.02057 8.69142 10.5687 10.1664 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 5.20647 5.83051 4.93841 4.9737 4.04528 4.75209 numMergedOcc 0
3 mol 26 unq 1 iso 1 dist 5.83051 5.20647 4.93841 4.9737 4.75209 4.04528 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 6.46901 9.30547 6.97513 6.9762 7.74382 12.8186 numMergedOcc 0
5 mol 46 unq 0 iso 1 dist 9.30547 6.46901 6.97513 6.9762 12.8186 7.74382 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 9.71805 4.9418 8.6162 7.74778 4.10762 5.01332 numMergedOcc 0
7 mol 103 unq 0 iso 1 dist 4.9418 9.71805 8.6162 7.74778 5.01332 4.10762 numMergedOcc 0
8 mol 103 unq 1 iso 0 dist 9.71805 5.7953 8.84187 7.74778 4.10762 7.50501 numMergedOcc 0
9 mol 103 unq 1 iso 1 dist 5.7953 9.71805 8.84187 7.74778 7.50501 4.10762 numMergedOcc 0
10 mol 103 unq 1 iso 0 dist 4.9418 5.7953 7.44304 7.74778 5.01332 7.50501 numMergedOcc 0
11 mol 103 unq 1 iso 1 dist 5.7953 4.9418 7.44304 7.74778 7.50501 5.01332 numMergedOcc 0
12 mol 128 unq 0 iso 0 dist 5.32517 7.6275 3.57533 9.95168 7.03613 9.16989 numMergedOcc 0
13 mol 128 unq 0 iso 1 dist 7.6275 5.32517 3.57533 9.95168 9.16989 7.03613 numMergedOcc 0
14 mol 128 unq 1 iso 0 dist 5.32517 7.4738 10.0842 9.95168 7.03613 10.9024 numMergedOcc 0
15 mol 128 unq 1 iso 1 dist 7.4738 5.32517 10.0842 9.95168 10.9024 7.03613 numMergedOcc 0
16 mol 128 unq 2 iso 0 dist 5.32517 8.88867 11.7069 9.95168 7.03613 16.8599 numMergedOcc 0
17 mol 128 unq 2 iso 1 dist 8.88867 5.32517 11.7069 9.95168 16.8599 7.03613 numMergedOcc 0
18 mol 128 unq 3 iso 0 dist 5.32517 7.04282 8.45681 9.95168 7.03613 13.3841 numMergedOcc 0
19 mol 128 unq 3 iso 1 dist 7.04282 5.32517 8.45681 9.95168 13.3841 7.03613 numMergedOcc 0
20 mol 128 unq 1 iso 0 dist 7.6275 7.4738 11.283 9.95168 9.16989 10.9024 numMergedOcc 0
21 mol 128 unq 1 iso 1 dist 7.4738 7.6275 11.283 9.95168 10.9024 9.16989 numMergedOcc 0
22 mol 128 unq 2 iso 0 dist 7.6275 8.88867 11.0489 9.95168 9.16989 16.8599 numMergedOcc 0
23 mol 128 unq 2 iso 1 dist 8.88867 7.6275 11.0489 9.95168 16.8599 9.16989 numMergedOcc 0
24 mol 128 unq 3 iso 0 dist 7.6275 7.04282 7.50392 9.95168 9.16989 13.3841 numMergedOcc 0
25 mol 128 unq 3 iso 1 dist 7.04282 7.6275 7.50392 9.95168 13.3841 9.16989 numMergedOcc 0
26 mol 128 unq 2 iso 0 dist 7.4738 8.88867 9.43368 9.95168 10.9024 16.8599 numMergedOcc 0
27 mol 128 unq 2 iso 1 dist 8.88867 7.4738 9.43368 9.95168 16.8599 10.9024 numMergedOcc 0
28 mol 128 unq 3 iso 0 dist 7.4738 7.04282 7.72018 9.95168 10.9024 13.3841 numMergedOcc 0
29 mol 128 unq 3 iso 1 dist 7.04282 7.4738 7.72018 9.95168 13.3841 10.9024 numMergedOcc 0
30 mol 128 unq 3 iso 0 dist 8.88867 7.04282 3.93975 9.95168 16.8599 13.3841 numMergedOcc 0
31 mol 128 unq 3 iso 1 dist 7.04282 8.88867 3.93975 9.95168 13.3841 16.8599 numMergedOcc 0
32 mol 154 unq 0 iso 0 dist 5.67586 7.53235 7.22219 5.57798 4.02111 7.26536 numMergedOcc 0
33 mol 154 unq 0 iso 1 dist 7.53235 5.67586 7.22219 5.57798 7.26536 4.02111 numMergedOcc 0
34 mol 226 unq 0 iso 0 dist 6.67272 9.45332 6.89 9.37981 5.94294 11.9903 numMergedOcc 0
35 mol 226 unq 0 iso 1 dist 9.45332 6.67272 6.89 9.37981 11.9903 5.94294 numMergedOcc 0
36 mol 235 unq 0 iso 0 dist 6.91126 9.48967 13.6805 4.46919 3.93066 13.0408 numMergedOcc 0
37 mol 235 unq 0 iso 1 dist 9.48967 6.91126 13.6805 4.46919 13.0408 3.93066 numMergedOcc 0
38 mol 240 unq 0 iso 0 dist 9.23116 5.76042 10.1261 4.98994 9.50907 5.30432 numMergedOcc 0
39 mol 240 unq 0 iso 1 dist 5.76042 9.23116 10.1261 4.98994 5.30432 9.50907 numMergedOcc 0
40 mol 277 unq 0 iso 0 dist 6.58667 6.01542 10.4877 7.64361 13.7282 4.60075 numMergedOcc 0
41 mol 277 unq 0 iso 1 dist 6.01542 6.58667 10.4877 7.64361 4.60075 13.7282 numMergedOcc 0
42 mol 278 unq 0 iso 0 dist 8.79625 9.9609 17.5663 6.9592 4.74121 14.9084 numMergedOcc 0
43 mol 278 unq 0 iso 1 dist 9.9609 8.79625 17.5663 6.9592 14.9084 4.74121 numMergedOcc 0
44 mol 292 unq 0 iso 0 dist 9.05047 7.24072 3.71231 9.01292 10.9081 7.31058 numMergedOcc 0
45 mol 292 unq 0 iso 1 dist 7.24072 9.05047 3.71231 9.01292 7.31058 10.9081 numMergedOcc 0
