0 mol 73 unq 0 iso 0 dist 5.7576 5.33851 6.23522 8.3449 9.10566 11.8291 numMergedOcc 0
1 mol 73 unq 0 iso 1 dist 5.7576 8.3449 9.10566 5.33851 6.23522 11.8291 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 5.7576 5.33851 6.23522 10.9046 9.62027 5.75196 numMergedOcc 0
3 mol 73 unq 1 iso 1 dist 5.7576 10.9046 9.62027 5.33851 6.23522 5.75196 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 5.7576 8.3449 9.10566 10.9046 9.62027 16.8676 numMergedOcc 0
5 mol 73 unq 1 iso 1 dist 5.7576 10.9046 9.62027 8.3449 9.10566 16.8676 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 8.12319 5.25879 8.81797 5.26656 9.81269 4.5207 numMergedOcc 0
7 mol 130 unq 0 iso 1 dist 8.12319 5.26656 9.81269 5.25879 8.81797 4.5207 numMergedOcc 0
8 mol 130 unq 1 iso 0 dist 8.12319 5.25879 8.81797 10.9365 5.92733 8.38345 numMergedOcc 0
9 mol 130 unq 1 iso 1 dist 8.12319 10.9365 5.92733 5.25879 8.81797 8.38345 numMergedOcc 0
10 mol 130 unq 1 iso 0 dist 8.12319 5.26656 9.81269 10.9365 5.92733 10.0969 numMergedOcc 0
11 mol 130 unq 1 iso 1 dist 8.12319 10.9365 5.92733 5.26656 9.81269 10.0969 numMergedOcc 0
12 mol 130 unq 2 iso 0 dist 9.04366 10.7254 8.81797 14.0585 9.81269 4.5207 numMergedOcc 0
13 mol 130 unq 2 iso 1 dist 9.04366 14.0585 9.81269 10.7254 8.81797 4.5207 numMergedOcc 0
14 mol 130 unq 3 iso 0 dist 9.04366 10.7254 8.81797 5.63567 5.92733 8.38345 numMergedOcc 0
15 mol 130 unq 3 iso 1 dist 9.04366 5.63567 5.92733 10.7254 8.81797 8.38345 numMergedOcc 0
16 mol 130 unq 3 iso 0 dist 9.04366 14.0585 9.81269 5.63567 5.92733 10.0969 numMergedOcc 0
17 mol 130 unq 3 iso 1 dist 9.04366 5.63567 5.92733 14.0585 9.81269 10.0969 numMergedOcc 0
18 mol 147 unq 0 iso 0 dist 8.92048 5.65454 8.39897 9.26637 9.03078 7.63992 numMergedOcc 0
19 mol 147 unq 0 iso 1 dist 8.92048 9.26637 9.03078 5.65454 8.39897 7.63992 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 7.31316 14.1448 9.38984 12.1716 9.91118 4.85934 numMergedOcc 0
21 mol 194 unq 0 iso 1 dist 7.31316 12.1716 9.91118 14.1448 9.38984 4.85934 numMergedOcc 0
22 mol 194 unq 1 iso 0 dist 8.9865 8.50813 9.38984 12.6254 9.91118 4.85934 numMergedOcc 0
23 mol 194 unq 1 iso 1 dist 8.9865 12.6254 9.91118 8.50813 9.38984 4.85934 numMergedOcc 0
24 mol 213 unq 0 iso 0 dist 8.64187 12.6417 8.82761 10.3241 4.66576 5.45334 numMergedOcc 0
25 mol 213 unq 0 iso 1 dist 8.64187 10.3241 4.66576 12.6417 8.82761 5.45334 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 5.90826 6.13639 8.94231 5.59848 8.88652 5.6348 numMergedOcc 0
27 mol 238 unq 0 iso 1 dist 5.90826 5.59848 8.88652 6.13639 8.94231 5.6348 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 5.90826 6.13639 8.94231 7.17967 6.46771 8.87326 numMergedOcc 0
29 mol 238 unq 1 iso 1 dist 5.90826 7.17967 6.46771 6.13639 8.94231 8.87326 numMergedOcc 0
30 mol 238 unq 1 iso 0 dist 5.90826 5.59848 8.88652 7.17967 6.46771 5.31152 numMergedOcc 0
31 mol 238 unq 1 iso 1 dist 5.90826 7.17967 6.46771 5.59848 8.88652 5.31152 numMergedOcc 0
32 mol 238 unq 2 iso 0 dist 8.75412 11.8352 8.94231 7.31855 8.88652 5.6348 numMergedOcc 0
33 mol 238 unq 2 iso 1 dist 8.75412 7.31855 8.88652 11.8352 8.94231 5.6348 numMergedOcc 0
34 mol 238 unq 3 iso 0 dist 8.75412 11.8352 8.94231 5.91323 6.46771 8.87326 numMergedOcc 0
35 mol 238 unq 3 iso 1 dist 8.75412 5.91323 6.46771 11.8352 8.94231 8.87326 numMergedOcc 0
36 mol 238 unq 3 iso 0 dist 8.75412 7.31855 8.88652 5.91323 6.46771 5.31152 numMergedOcc 0
37 mol 238 unq 3 iso 1 dist 8.75412 5.91323 6.46771 7.31855 8.88652 5.31152 numMergedOcc 0
38 mol 258 unq 0 iso 0 dist 5.57978 9.65708 6.76495 10.4505 5.4557 5.55477 numMergedOcc 0
39 mol 258 unq 0 iso 1 dist 5.57978 10.4505 5.4557 9.65708 6.76495 5.55477 numMergedOcc 0
40 mol 287 unq 0 iso 0 dist 7.29668 8.598 5.30118 10.9452 8.98698 4.8356 numMergedOcc 0
41 mol 287 unq 0 iso 1 dist 7.29668 10.9452 8.98698 8.598 5.30118 4.8356 numMergedOcc 0
42 mol 288 unq 0 iso 0 dist 7.29668 8.598 5.30118 10.9452 8.98698 4.8356 numMergedOcc 0
43 mol 288 unq 0 iso 1 dist 7.29668 10.9452 8.98698 8.598 5.30118 4.8356 numMergedOcc 0
44 mol 289 unq 0 iso 0 dist 7.29668 8.598 5.30118 10.9452 8.98698 4.8356 numMergedOcc 0
45 mol 289 unq 0 iso 1 dist 7.29668 10.9452 8.98698 8.598 5.30118 4.8356 numMergedOcc 0
