0 mol 14 unq 0 iso 0 dist 8.51112 12.3645 9.04767 7.28563 4.53725 9.58196 8.29358 9.6726 5.76302 8.84686 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.13365 10.5449 6.86014 17.544 10.0952 8.86116 21.7352 16.0162 11.6226 8.09311 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.13365 10.5449 6.86014 17.544 10.0952 8.86116 22.9237 16.8554 13.1949 9.05357 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.47617 8.14351 6.20293 8.99509 5.06502 5.73819 11.0512 10.0168 5.07458 6.66407 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 5.73331 8.14351 8.93915 8.99509 5.89973 5.73819 11.0512 10.9975 5.07458 6.66407 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 7.66055 5.76106 6.81627 11.2215 5.47421 7.32874 3.73561 5.38524 5.61579 8.69057 numMergedOcc 0
6 mol 60 unq 0 iso 0 dist 8.46609 4.72836 6.65595 12.0878 6.54743 8.90863 12.3812 12.544 8.27828 9.95132 numMergedOcc 0
7 mol 60 unq 1 iso 0 dist 8.46609 4.72836 6.65595 12.0878 6.54743 8.90863 12.2249 7.57295 7.80499 7.48086 numMergedOcc 0
8 mol 60 unq 2 iso 0 dist 8.46609 12.4802 6.43294 13.7633 5.67502 8.7531 12.2249 7.57295 8.62476 8.4312 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 7.59073 4.53858 5.73196 11.7649 10.1164 7.66905 7.93044 11.2056 5.59906 7.7068 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 9.17862 15.821 7.27724 15.8862 8.41707 8.03644 22.0605 15.6447 15.6249 8.27883 numMergedOcc 0
11 mol 95 unq 1 iso 0 dist 9.17862 15.821 7.27724 15.8862 8.41707 8.03644 20.7364 14.0772 12.4896 5.75428 numMergedOcc 0
12 mol 95 unq 2 iso 0 dist 9.17862 15.821 7.27724 15.8862 8.41707 8.03644 18.0946 14.1515 14.2178 8.57395 numMergedOcc 0
13 mol 95 unq 3 iso 0 dist 9.17862 15.821 7.27724 15.8862 8.41707 8.03644 14.7495 10.3132 8.78079 9.85409 numMergedOcc 0
14 mol 95 unq 4 iso 0 dist 8.27456 9.7565 7.27724 15.5421 8.41707 8.03644 23.3468 15.6447 15.6249 8.27883 numMergedOcc 0
15 mol 95 unq 5 iso 0 dist 8.27456 9.7565 7.27724 15.5421 8.41707 8.03644 20.8768 14.0772 12.4896 5.75428 numMergedOcc 0
16 mol 95 unq 6 iso 0 dist 8.27456 9.7565 7.27724 15.5421 8.41707 8.03644 20.382 14.1515 14.2178 8.57395 numMergedOcc 0
17 mol 95 unq 7 iso 0 dist 8.27456 9.7565 7.27724 15.5421 8.41707 8.03644 12.8891 10.3132 8.78079 9.85409 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 5.11612 6.86762 5.83991 12.9567 10.8507 7.30858 10.4345 10.5599 5.03039 6.04595 numMergedOcc 0
19 mol 115 unq 1 iso 0 dist 5.22628 10.0419 9.33865 11.2519 7.69052 5.83991 14.524 13.4105 4.48636 7.69765 numMergedOcc 0
20 mol 115 unq 2 iso 0 dist 5.22628 10.0419 9.33865 11.2519 7.69052 5.83991 3.82475 6.39384 6.63111 9.42082 numMergedOcc 0
21 mol 115 unq 3 iso 0 dist 5.22628 6.8104 6.11741 11.2519 7.69052 7.88312 14.524 13.4105 11.835 7.69765 numMergedOcc 0
22 mol 115 unq 4 iso 0 dist 5.22628 6.8104 6.11741 11.2519 7.69052 7.88312 3.82475 6.39384 6.07067 9.42082 numMergedOcc 0
23 mol 117 unq 0 iso 0 dist 9.60425 5.17524 9.84395 12.6233 13.1058 7.90328 11.119 16.804 7.20875 8.84018 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 6.53153 5.78974 9.91388 8.29673 6.761 7.24514 10.2739 12.4934 5.03174 8.26547 numMergedOcc 0
25 mol 133 unq 1 iso 0 dist 6.29975 5.78974 9.52634 8.29673 7.6656 7.24514 10.2739 13.5471 5.03174 8.26547 numMergedOcc 0
26 mol 133 unq 2 iso 0 dist 8.29673 9.35671 8.22656 11.5292 5.61668 6.82262 10.2739 8.26547 4.88025 9.05342 numMergedOcc 0
27 mol 178 unq 0 iso 0 dist 8.57378 4.51874 6.43573 5.41229 5.34677 6.69288 4.00111 10.0638 6.42973 7.06025 numMergedOcc 0
28 mol 192 unq 0 iso 0 dist 6.44896 4.94984 5.59424 9.74252 5.76246 7.00794 4.65378 5.64942 6.35474 6.97962 numMergedOcc 0
29 mol 192 unq 1 iso 0 dist 6.44896 4.94984 5.59424 9.74252 5.76246 7.00794 5.48435 7.43054 5.25965 6.79229 numMergedOcc 0
30 mol 224 unq 0 iso 0 dist 9.61379 9.57016 8.95269 11.7326 4.70378 6.57273 16.3208 13.2325 7.05804 8.79428 numMergedOcc 0
31 mol 224 unq 1 iso 0 dist 9.61379 9.57016 8.95269 14.3448 11.5372 5.78342 16.3208 13.2325 7.05804 6.8692 numMergedOcc 0
32 mol 229 unq 0 iso 0 dist 8.52933 10.568 9.06952 13.4598 6.84129 7.03423 15.0835 11.9869 7.22525 7.27993 numMergedOcc 0
33 mol 234 unq 0 iso 0 dist 6.15754 12.4455 6.56247 8.9413 5.88703 9.45496 14.075 11.6391 12.4252 7.81215 numMergedOcc 0
34 mol 234 unq 1 iso 0 dist 6.15754 14.0876 9.36357 8.9413 5.88703 6.7625 14.075 11.6391 5.75498 7.81215 numMergedOcc 0
35 mol 234 unq 2 iso 0 dist 6.6281 10.0624 6.56247 11.5469 5.88703 9.45496 14.9333 11.6391 12.4252 7.81215 numMergedOcc 0
36 mol 234 unq 3 iso 0 dist 6.6281 13.9869 9.36357 11.5469 5.88703 6.7625 14.9333 11.6391 5.75498 7.81215 numMergedOcc 0
37 mol 259 unq 0 iso 0 dist 5.29682 5.56656 8.13497 6.20344 4.69778 7.88519 10.4532 12.8229 7.20604 9.63573 numMergedOcc 0
38 mol 259 unq 1 iso 0 dist 5.29682 5.56656 8.13497 6.20344 4.69778 7.88519 5.13757 9.07743 8.8603 7.66153 numMergedOcc 0
39 mol 259 unq 2 iso 0 dist 6.20344 5.56656 7.88519 5.29682 4.69778 8.13497 5.13757 7.66153 8.8603 9.07743 numMergedOcc 0
40 mol 280 unq 0 iso 0 dist 9.0021 12.6862 6.53701 14.0039 5.51836 6.0664 9.81388 6.02353 4.90315 6.86234 numMergedOcc 0
