0 mol 74 unq 0 iso 0 dist 5.50438 4.98741 9.23721 8.78588 7.94725 13.6619 numMergedOcc 0
1 mol 74 unq 1 iso 0 dist 8.97568 5.37033 9.23721 13.0366 7.94725 13.6619 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 7.76679 5.44021 7.72039 4.95591 8.48088 7.42029 numMergedOcc 0
3 mol 95 unq 1 iso 0 dist 7.76679 5.44021 7.72039 9.62836 7.27506 10.7254 numMergedOcc 0
4 mol 134 unq 0 iso 0 dist 5.8367 5.84146 5.10248 4.4987 8.48313 6.4405 numMergedOcc 0
5 mol 134 unq 1 iso 0 dist 5.8367 5.84146 5.10248 4.72407 6.99345 3.64555 numMergedOcc 0
6 mol 134 unq 2 iso 0 dist 5.8367 5.84146 5.10248 7.97297 5.11043 4.78701 numMergedOcc 0
7 mol 158 unq 0 iso 0 dist 5.32135 8.07305 6.86539 6.72578 5.48379 7.46384 numMergedOcc 0
8 mol 158 unq 1 iso 0 dist 5.32135 8.47485 5.09948 6.72578 5.48379 4.77306 numMergedOcc 0
9 mol 158 unq 2 iso 0 dist 9.03736 7.12876 6.86539 11.1589 5.48379 7.46384 numMergedOcc 0
10 mol 158 unq 3 iso 0 dist 9.03736 10.4669 5.09948 11.1589 5.48379 4.77306 numMergedOcc 0
11 mol 173 unq 0 iso 0 dist 7.87322 8.97464 5.01585 9.92222 7.17037 7.29413 numMergedOcc 0
12 mol 193 unq 0 iso 0 dist 9.19696 10.9412 9.07517 9.77891 7.39445 14.5432 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 6.06105 4.20749 9.34695 5.30128 9.57955 6.38826 numMergedOcc 0
14 mol 225 unq 1 iso 0 dist 6.06105 4.20749 9.34695 7.291 8.79277 11.0792 numMergedOcc 0
15 mol 229 unq 0 iso 0 dist 7.09453 11.1173 5.67652 5.06475 6.42694 7.5737 numMergedOcc 0
16 mol 229 unq 1 iso 0 dist 7.09453 11.1173 5.67652 10.6529 7.63917 4.39666 numMergedOcc 0
17 mol 229 unq 2 iso 0 dist 8.69109 9.43117 5.67652 5.21449 6.42694 7.5737 numMergedOcc 0
18 mol 229 unq 3 iso 0 dist 8.69109 9.43117 5.67652 9.57165 7.63917 4.39666 numMergedOcc 0
19 mol 250 unq 0 iso 0 dist 9.26007 6.40814 5.01762 9.01873 7.22664 9.20475 numMergedOcc 0
20 mol 250 unq 1 iso 0 dist 9.26007 6.40814 5.01762 3.96634 7.15762 4.62181 numMergedOcc 0
21 mol 264 unq 0 iso 0 dist 9.91954 11.2974 8.43465 10.6477 6.02757 4.66338 numMergedOcc 0
22 mol 264 unq 1 iso 0 dist 9.91954 11.2974 8.43465 10.998 8.67231 9.41519 numMergedOcc 0
23 mol 270 unq 0 iso 0 dist 8.2483 6.24918 7.90419 9.76047 7.39185 6.44843 numMergedOcc 0
24 mol 270 unq 1 iso 0 dist 8.2483 6.24918 7.90419 5.26516 8.20158 7.19917 numMergedOcc 0
