0 mol 1 unq 0 iso 0 dist 9.12196 7.94662 7.73435 10.3603 3.41028 8.31812 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 7.05346 6.119 5.55437 10.0677 5.06967 6.20227 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 7.9944 10.4817 5.38458 13.8353 8.11848 6.6347 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 7.032 7.51034 5.38458 9.80484 8.11848 6.6347 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.72502 11.2106 9.40479 6.48457 6.79243 4.87192 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.72502 5.97304 9.38831 6.07553 7.43716 5.47982 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.03303 8.92736 8.58543 13.466 10.1989 7.62728 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 8.67766 11.8348 9.92553 20.1941 14.7644 9.56707 numMergedOcc 0
8 mol 109 unq 1 iso 0 dist 8.67766 11.8348 9.92553 16.0249 12.8592 9.06397 numMergedOcc 0
9 mol 109 unq 2 iso 0 dist 8.0831 15.0307 9.92553 22.1797 14.7644 9.56707 numMergedOcc 0
10 mol 109 unq 3 iso 0 dist 8.0831 15.0307 9.92553 19.7175 12.8592 9.06397 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 7.77116 4.91132 8.03035 11.8946 8.58511 8.81779 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 9.15431 7.21005 7.76594 14.8009 10.6067 8.34503 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 9.15431 7.21005 7.76594 12.0317 12.4872 5.70499 numMergedOcc 0
14 mol 131 unq 2 iso 0 dist 6.92648 11.5688 7.76594 16.7038 10.6067 8.34503 numMergedOcc 0
15 mol 131 unq 3 iso 0 dist 6.92648 11.5688 7.76594 16.9049 12.4872 5.70499 numMergedOcc 0
16 mol 131 unq 4 iso 0 dist 9.29384 15.7796 7.76594 19.8349 10.6067 8.34503 numMergedOcc 0
17 mol 131 unq 5 iso 0 dist 9.29384 15.7796 7.76594 21.2281 12.4872 5.70499 numMergedOcc 0
18 mol 140 unq 0 iso 0 dist 5.39064 8.83949 6.98813 16.2292 13.3448 9.36023 numMergedOcc 0
19 mol 140 unq 1 iso 0 dist 5.39064 8.83949 6.98813 16.3199 12.4664 9.43159 numMergedOcc 0
20 mol 140 unq 2 iso 0 dist 8.64368 5.11372 5.39314 10.1367 5.8849 9.36023 numMergedOcc 0
21 mol 140 unq 3 iso 0 dist 8.64368 5.11372 5.39314 13.73 7.45506 9.43159 numMergedOcc 0
22 mol 140 unq 4 iso 0 dist 8.64368 4.46582 5.3573 10.1367 5.8849 6.88264 numMergedOcc 0
23 mol 163 unq 0 iso 0 dist 8.5043 3.89889 8.23605 9.26162 8.6369 7.38157 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 5.4969 4.24624 7.32419 6.62757 3.87881 6.59925 numMergedOcc 0
25 mol 175 unq 1 iso 0 dist 6.4318 4.24624 8.31961 6.62757 9.0465 6.59925 numMergedOcc 0
26 mol 225 unq 0 iso 0 dist 6.6561 4.76151 6.53728 11.6022 15.612 9.18343 numMergedOcc 0
27 mol 225 unq 1 iso 0 dist 8.87609 11.5135 6.53728 11.3048 9.7379 9.33639 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 8.03442 11.0628 9.56257 12.8593 13.4732 7.14633 numMergedOcc 0
29 mol 227 unq 1 iso 0 dist 8.03442 11.0628 9.56257 10.1659 6.30626 9.94302 numMergedOcc 0
30 mol 252 unq 0 iso 0 dist 6.53679 6.28227 8.55481 10.5963 7.10224 8.62955 numMergedOcc 0
31 mol 252 unq 1 iso 0 dist 7.50201 5.25252 8.55481 6.38733 7.10224 8.62955 numMergedOcc 0
32 mol 258 unq 0 iso 0 dist 9.53063 7.42673 6.47194 12.9131 3.42387 8.65191 numMergedOcc 0
