0 mol 1 unq 0 iso 0 dist 9.72447 12.0811 5.74199 4.67062 8.69605 10.4572 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 9.11545 12.4359 9.00925 10.9865 8.68949 16.2669 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 6.79758 12.9465 9.3147 7.99314 8.75001 10.2713 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 6.79758 4.48525 9.79426 7.99314 8.75001 12.053 numMergedOcc 0
4 mol 42 unq 0 iso 0 dist 9.83301 8.6764 8.84148 5.6382 5.52834 5.21506 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 9.06379 8.09373 8.36667 4.6749 8.70964 11.5923 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 7.37476 6.28936 5.92936 4.49648 7.48556 4.97519 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 7.37476 6.28936 5.92936 4.50556 9.47045 9.95663 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 7.37476 6.28936 5.92936 4.53367 8.68218 6.87319 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 7.52544 6.1691 7.02854 4.77004 5.73235 5.22567 numMergedOcc 0
10 mol 90 unq 0 iso 0 dist 8.60438 4.77259 6.6146 9.63545 9.06641 5.12529 numMergedOcc 0
11 mol 91 unq 0 iso 0 dist 5.22576 5.05933 5.78962 6.39764 8.91354 7.47242 numMergedOcc 0
12 mol 91 unq 1 iso 0 dist 8.65409 10.592 5.78962 13.7719 8.91354 7.47242 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 9.83241 8.10347 7.07421 12.8233 7.6453 5.06265 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 9.6112 13.4643 6.68364 9.53483 6.87456 7.87375 numMergedOcc 0
15 mol 148 unq 0 iso 0 dist 6.17633 9.59882 9.71692 8.47619 9.18753 11.8278 numMergedOcc 0
16 mol 148 unq 1 iso 0 dist 9.32264 9.435 9.71692 12.407 9.18753 11.8278 numMergedOcc 0
17 mol 150 unq 0 iso 0 dist 6.20295 9.57563 9.73708 8.33704 9.15244 11.6537 numMergedOcc 0
18 mol 150 unq 1 iso 0 dist 9.34249 9.39127 9.73708 12.3632 9.15244 11.6537 numMergedOcc 0
19 mol 160 unq 0 iso 0 dist 8.83016 7.32507 8.87648 9.6475 8.1876 4.70871 numMergedOcc 0
20 mol 183 unq 0 iso 0 dist 7.23572 8.49147 7.94469 12.7308 8.84987 6.08215 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 9.99051 15.1546 9.94142 7.68008 8.46819 8.05438 numMergedOcc 0
22 mol 189 unq 0 iso 0 dist 8.51507 4.92782 5.11059 6.00118 9.95686 4.92169 numMergedOcc 0
23 mol 189 unq 1 iso 0 dist 8.51507 4.92782 5.11059 5.48787 9.47321 8.03657 numMergedOcc 0
24 mol 203 unq 0 iso 0 dist 9.76204 5.50961 7.9591 5.50827 6.84619 4.9404 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 9.12896 8.40223 7.00683 13.4281 9.52029 8.61406 numMergedOcc 0
26 mol 204 unq 1 iso 0 dist 8.63667 10.3245 7.00683 9.86864 9.52029 8.61406 numMergedOcc 0
27 mol 220 unq 0 iso 0 dist 9.64006 16.6231 7.86207 17.9836 9.89039 9.09963 numMergedOcc 0
28 mol 220 unq 1 iso 0 dist 9.64006 16.6231 7.86207 4.47683 8.57174 14.3078 numMergedOcc 0
29 mol 229 unq 0 iso 0 dist 5.95601 5.01153 8.36396 4.47956 7.48693 5.52342 numMergedOcc 0
30 mol 236 unq 0 iso 0 dist 7.73969 10.4934 9.13126 11.1044 4.71683 8.3795 numMergedOcc 0
31 mol 239 unq 0 iso 0 dist 7.04478 5.16822 6.00654 8.30658 9.01071 12.178 numMergedOcc 0
32 mol 239 unq 1 iso 0 dist 7.04478 5.16822 6.00654 11.481 8.86185 8.20191 numMergedOcc 0
33 mol 239 unq 2 iso 0 dist 8.4319 6.72716 9.59937 10.3585 7.58554 5.94643 numMergedOcc 0
34 mol 241 unq 0 iso 0 dist 9.82576 10.1581 9.174 5.44852 7.26758 10.9643 numMergedOcc 0
35 mol 245 unq 0 iso 0 dist 5.70624 4.84566 7.26913 4.95438 9.96585 6.25662 numMergedOcc 0
36 mol 245 unq 1 iso 0 dist 5.70624 4.84566 7.26913 5.42329 7.27022 4.38291 numMergedOcc 0
37 mol 245 unq 2 iso 0 dist 5.70624 4.84566 7.26913 12.1537 7.95061 11.8346 numMergedOcc 0
38 mol 245 unq 3 iso 0 dist 5.70624 11.4898 6.41862 4.95438 9.96585 14.6391 numMergedOcc 0
39 mol 245 unq 4 iso 0 dist 5.70624 11.4898 6.41862 5.42329 7.27022 10.1523 numMergedOcc 0
40 mol 245 unq 5 iso 0 dist 5.70624 11.4898 6.41862 12.1537 7.95061 3.53109 numMergedOcc 0
41 mol 245 unq 6 iso 0 dist 5.70624 13.484 8.69377 4.95438 9.96585 17.4904 numMergedOcc 0
42 mol 245 unq 7 iso 0 dist 5.70624 13.484 8.69377 5.42329 7.27022 13.6404 numMergedOcc 0
43 mol 245 unq 8 iso 0 dist 5.70624 13.484 8.69377 12.1537 7.95061 9.71014 numMergedOcc 0
44 mol 258 unq 0 iso 0 dist 9.27225 4.49451 8.97411 11.1283 8.58092 13.2474 numMergedOcc 0
45 mol 266 unq 0 iso 0 dist 9.51286 18.6043 9.77392 8.13583 9.0836 16.492 numMergedOcc 0
46 mol 266 unq 1 iso 0 dist 9.51286 18.6043 9.77392 4.80695 9.62494 18.9489 numMergedOcc 0
47 mol 266 unq 2 iso 0 dist 8.78501 12.4808 8.12204 8.96584 9.39714 5.91091 numMergedOcc 0
48 mol 277 unq 0 iso 0 dist 9.60879 9.93994 6.23539 4.00063 6.66936 5.95045 numMergedOcc 0
49 mol 281 unq 0 iso 0 dist 8.80931 5.59865 6.7897 3.90611 6.58925 4.37855 numMergedOcc 0
50 mol 281 unq 1 iso 0 dist 9.83857 5.58886 6.7897 5.78711 6.58925 4.37855 numMergedOcc 0
51 mol 292 unq 0 iso 0 dist 9.38624 11.4466 9.57857 6.92318 5.83342 6.00343 numMergedOcc 0
