0 mol 1 unq 0 iso 0 dist 5.65716 12.2921 8.31812 11.1504 7.73435 3.41028 12.6791 7.94662 10.3603 9.12196 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.93613 11.071 6.20227 6.49896 5.55437 5.06967 10.068 6.119 10.0677 7.05346 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 5.99711 11.6375 6.6347 5.55187 5.38458 8.11848 10.1307 10.4817 13.8353 7.9944 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 5.99711 11.6375 6.6347 5.55187 5.38458 8.11848 10.1367 7.51034 9.80484 7.032 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.70141 9.42167 4.87192 12.8473 9.40479 6.79243 12.511 11.2106 6.48457 6.72502 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 7.49224 6.3763 9.56707 11.6623 9.92553 14.7644 17.2949 11.8348 20.1941 8.67766 numMergedOcc 0
6 mol 109 unq 1 iso 0 dist 7.49224 6.3763 9.56707 11.6623 9.92553 14.7644 18.0802 15.0307 22.1797 8.0831 numMergedOcc 0
7 mol 109 unq 2 iso 0 dist 7.49224 11.9702 9.06397 11.6623 9.92553 12.8592 17.2949 11.8348 16.0249 8.67766 numMergedOcc 0
8 mol 109 unq 3 iso 0 dist 7.49224 11.9702 9.06397 11.6623 9.92553 12.8592 18.0802 15.0307 19.7175 8.0831 numMergedOcc 0
9 mol 140 unq 0 iso 0 dist 7.85653 3.66146 9.36023 10.1665 6.98813 13.3448 13.3811 8.83949 16.2292 5.39064 numMergedOcc 0
10 mol 140 unq 1 iso 0 dist 7.85653 3.66146 9.36023 5.62223 5.39314 5.8849 9.6224 5.11372 10.1367 8.64368 numMergedOcc 0
11 mol 140 unq 2 iso 0 dist 7.85653 12.5989 9.43159 10.1665 6.98813 12.4664 13.3811 8.83949 16.3199 5.39064 numMergedOcc 0
12 mol 140 unq 3 iso 0 dist 7.85653 12.5989 9.43159 5.62223 5.39314 7.45506 9.6224 5.11372 13.73 8.64368 numMergedOcc 0
13 mol 140 unq 4 iso 0 dist 7.5639 3.66146 6.88264 5.62223 5.3573 5.8849 9.6224 4.46582 10.1367 8.64368 numMergedOcc 0
14 mol 163 unq 0 iso 0 dist 8.12896 6.31211 7.38157 12.3276 8.23605 8.6369 11.6669 3.89889 9.26162 8.5043 numMergedOcc 0
15 mol 163 unq 1 iso 0 dist 8.88092 4.09836 7.38157 5.83597 8.23605 8.6369 10.1012 3.89889 9.26162 8.5043 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 9.08628 15.459 6.59925 14.8387 7.32419 3.87881 10.4663 4.24624 6.62757 5.4969 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 9.08628 15.459 6.59925 11.9554 8.31961 9.0465 10.4663 4.24624 6.62757 6.4318 numMergedOcc 0
18 mol 175 unq 2 iso 0 dist 8.35581 12.0623 6.59925 13.6171 7.32419 3.87881 12.4136 4.24624 6.62757 5.4969 numMergedOcc 0
19 mol 175 unq 3 iso 0 dist 8.35581 12.0623 6.59925 13.6238 8.31961 9.0465 12.4136 4.24624 6.62757 6.4318 numMergedOcc 0
20 mol 175 unq 4 iso 0 dist 6.72569 9.05904 6.59925 10.2269 7.32419 3.87881 10.1817 4.24624 6.62757 5.4969 numMergedOcc 0
21 mol 175 unq 5 iso 0 dist 6.72569 9.05904 6.59925 10.4606 8.31961 9.0465 10.1817 4.24624 6.62757 6.4318 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 8.28454 16.1823 9.18343 7.01029 6.53728 15.612 10.689 4.76151 11.6022 6.6561 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 8.12518 10.394 7.14633 9.41039 9.56257 13.4732 15 11.0628 12.8593 8.03442 numMergedOcc 0
24 mol 227 unq 1 iso 0 dist 8.12518 12.4845 9.94302 9.41039 9.56257 6.30626 15 11.0628 10.1659 8.03442 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 8.78354 4.41915 8.65191 6.73942 6.47194 3.42387 15.0351 7.42673 12.9131 9.53063 numMergedOcc 0
