0 mol 7 unq 0 iso 0 dist 8.41585 6.81066 10.6 9.87885 12.8323 8.80913 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 8.57077 7.38017 10.6533 8.55451 8.69454 5.53745 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 8.57077 7.38017 10.6533 5.8245 5.84314 5.48345 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.86116 6.07553 5.86882 8.09311 11.6226 6.32709 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.86116 6.07553 5.86882 9.05357 13.1949 11.6058 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 8.86116 6.48457 9.9259 8.09311 11.6226 13.862 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 8.86116 6.48457 9.9259 9.05357 13.1949 9.94168 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 8.38394 6.07553 3.96228 8.09311 6.17155 6.32709 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 8.38394 6.07553 3.96228 9.05357 10.3122 11.6058 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 8.38394 6.48457 12.2071 8.09311 6.17155 13.862 numMergedOcc 0
10 mol 24 unq 7 iso 0 dist 8.38394 6.48457 12.2071 9.05357 10.3122 9.94168 numMergedOcc 0
11 mol 43 unq 0 iso 0 dist 5.73819 9.07906 8.42544 6.75943 4.96926 11.2174 numMergedOcc 0
12 mol 43 unq 1 iso 0 dist 8.80331 9.89546 14.0634 6.6263 5.41726 9.05723 numMergedOcc 0
13 mol 43 unq 2 iso 0 dist 6.20293 9.07906 6.09486 6.75943 5.41726 11.2174 numMergedOcc 0
14 mol 43 unq 3 iso 0 dist 8.93915 9.07906 4.40385 6.75943 10.0383 11.2174 numMergedOcc 0
15 mol 72 unq 0 iso 0 dist 8.8178 4.69674 5.83438 7.12321 4.27726 6.75732 numMergedOcc 0
16 mol 72 unq 1 iso 0 dist 9.96708 4.69674 11.8198 7.12321 7.47371 6.75732 numMergedOcc 0
17 mol 73 unq 0 iso 0 dist 8.70481 5.62694 10.169 5.5087 11.2069 8.97954 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 8.70481 5.62694 10.169 6.08682 10.6713 5.33414 numMergedOcc 0
19 mol 85 unq 0 iso 0 dist 7.95579 8.81824 6.62562 7.7068 6.36397 9.85117 numMergedOcc 0
20 mol 85 unq 1 iso 0 dist 6.19965 8.81824 5.46695 7.7068 4.41789 9.85117 numMergedOcc 0
21 mol 85 unq 2 iso 0 dist 7.66905 8.81824 11.3211 7.7068 5.59906 9.85117 numMergedOcc 0
22 mol 100 unq 0 iso 0 dist 8.87449 7.69401 9.15224 9.90751 9.72773 13.8686 numMergedOcc 0
23 mol 100 unq 1 iso 0 dist 8.87449 7.69401 9.15224 9.21662 9.39125 15.1364 numMergedOcc 0
24 mol 100 unq 2 iso 0 dist 8.87449 6.92671 6.92828 9.90751 9.72773 3.50258 numMergedOcc 0
25 mol 100 unq 3 iso 0 dist 8.87449 6.92671 6.92828 9.21662 9.39125 6.13237 numMergedOcc 0
26 mol 109 unq 0 iso 0 dist 7.34473 8.43667 6.62208 6.29161 6.73011 4.28346 numMergedOcc 0
27 mol 109 unq 1 iso 0 dist 7.34473 8.43667 6.62208 7.86666 13.0886 9.50699 numMergedOcc 0
28 mol 113 unq 0 iso 0 dist 5.86073 5.94552 4.38244 8.80934 5.70579 10.0317 numMergedOcc 0
29 mol 132 unq 0 iso 0 dist 7.7059 5.36351 6.6218 6.89918 12.9631 9.21982 numMergedOcc 0
30 mol 152 unq 0 iso 0 dist 5.87555 8.86966 8.18329 6.70693 4.94983 10.8368 numMergedOcc 0
31 mol 152 unq 1 iso 0 dist 6.70283 8.86966 5.97115 6.70693 5.39112 10.8368 numMergedOcc 0
32 mol 152 unq 2 iso 0 dist 8.67331 8.86966 4.36394 6.70693 9.67475 10.8368 numMergedOcc 0
33 mol 167 unq 0 iso 0 dist 9.87651 5.72735 6.38496 7.20495 7.87971 6.09401 numMergedOcc 0
34 mol 167 unq 1 iso 0 dist 9.87651 5.72735 6.38496 9.2289 12.0033 6.15234 numMergedOcc 0
35 mol 167 unq 2 iso 0 dist 9.87651 5.72735 6.38496 7.02548 11.6011 5.75062 numMergedOcc 0
36 mol 175 unq 0 iso 0 dist 9.29945 6.62757 13.4456 9.63417 11.0361 13.041 numMergedOcc 0
37 mol 175 unq 1 iso 0 dist 9.29945 9.36354 14.5359 9.63417 11.0361 5.71279 numMergedOcc 0
38 mol 178 unq 0 iso 0 dist 6.69288 8.4173 4.43082 7.06025 6.42973 7.86021 numMergedOcc 0
39 mol 192 unq 0 iso 0 dist 5.59424 8.63044 10.375 9.78634 9.53265 9.64278 numMergedOcc 0
40 mol 192 unq 1 iso 0 dist 5.59424 8.63044 10.375 5.64942 6.35474 10.8255 numMergedOcc 0
41 mol 192 unq 2 iso 0 dist 5.59424 8.63044 10.375 7.43054 5.25965 12.9782 numMergedOcc 0
42 mol 205 unq 0 iso 0 dist 6.03031 7.23959 9.73907 6.52816 9.49403 5.19623 numMergedOcc 0
43 mol 205 unq 1 iso 0 dist 7.26832 7.23959 12.3578 6.52816 13.514 5.19623 numMergedOcc 0
44 mol 205 unq 2 iso 0 dist 7.80463 7.23959 6.06996 6.52816 3.56269 5.19623 numMergedOcc 0
45 mol 224 unq 0 iso 0 dist 6.61986 7.80754 4.32714 8.08349 5.13732 9.06907 numMergedOcc 0
46 mol 224 unq 1 iso 0 dist 6.61986 8.20295 8.95149 8.08349 5.13732 13.4882 numMergedOcc 0
47 mol 252 unq 0 iso 0 dist 7.19638 7.48298 6.56535 7.15764 7.40852 9.49612 numMergedOcc 0
48 mol 252 unq 1 iso 0 dist 7.19638 8.9483 4.51829 7.15764 7.40852 10.6529 numMergedOcc 0
49 mol 277 unq 0 iso 0 dist 9.7748 6.64082 10.9417 9.35539 11.4555 4.85898 numMergedOcc 0
50 mol 277 unq 1 iso 0 dist 9.7748 6.64082 10.9417 8.9682 17.6038 14.6245 numMergedOcc 0
51 mol 277 unq 2 iso 0 dist 9.7748 6.64082 10.9417 6.92711 14.772 13.2277 numMergedOcc 0
