0 mol 7 unq 0 iso 0 dist 6.81066 9.87885 8.80913 13.2247 12.7325 6.1206 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.89546 6.6263 9.05723 8.13395 14.792 6.75943 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 9.07906 6.75943 11.2174 8.13395 14.1869 6.6263 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 9.854 9.69044 10.4612 8.62608 9.1216 6.9103 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 9.18809 9.8703 5.69088 14.224 12.8321 7.39665 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 4.69674 7.12321 6.75732 5.36766 9.8133 9.74228 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 4.69674 7.12321 6.75732 8.24309 10.2718 6.21799 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 5.62694 5.5087 8.97954 8.07446 10.3686 5.61588 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 5.62694 6.08682 5.33414 8.07446 10.3686 7.83244 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 8.72013 6.85523 14.5311 7.19663 14.7383 8.65848 numMergedOcc 0
10 mol 89 unq 0 iso 0 dist 6.64584 7.47974 7.41309 9.1532 13.8401 8.40422 numMergedOcc 0
11 mol 89 unq 1 iso 0 dist 6.64584 7.47974 7.41309 4.8812 10.5995 8.40425 numMergedOcc 0
12 mol 89 unq 2 iso 0 dist 6.64584 7.47974 7.41309 10.4087 11.821 5.51831 numMergedOcc 0
13 mol 89 unq 3 iso 0 dist 6.64584 7.47974 7.41309 10.8948 13.9325 9.65149 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 7.69401 9.21662 15.1364 10.8375 18.5047 8.91882 numMergedOcc 0
15 mol 100 unq 1 iso 0 dist 6.92671 9.21662 6.13237 10.8375 12.7318 8.91882 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 8.43667 7.86666 9.50699 17.2949 16.0249 9.77497 numMergedOcc 0
17 mol 127 unq 0 iso 0 dist 9.50837 7.79505 12.7979 6.55997 15.6655 7.36199 numMergedOcc 0
18 mol 127 unq 1 iso 0 dist 8.17522 7.79505 5.83338 6.55997 8.14341 7.36199 numMergedOcc 0
19 mol 127 unq 2 iso 0 dist 8.14341 7.36199 5.83338 6.55997 8.17522 7.79505 numMergedOcc 0
20 mol 132 unq 0 iso 0 dist 5.36351 6.89918 9.21982 4.35917 9.16685 7.89457 numMergedOcc 0
21 mol 152 unq 0 iso 0 dist 6.52446 6.41689 6.78984 6.8016 12.2528 9.07758 numMergedOcc 0
22 mol 152 unq 1 iso 0 dist 8.86966 6.70693 10.8368 7.65448 13.4958 6.59889 numMergedOcc 0
23 mol 167 unq 0 iso 0 dist 6.85239 7.68266 6.15234 6.44246 11.1937 7.6616 numMergedOcc 0
24 mol 167 unq 1 iso 0 dist 6.85239 7.68266 6.15234 4.70068 5.72735 9.2289 numMergedOcc 0
25 mol 167 unq 2 iso 0 dist 6.85239 6.84752 5.75062 6.44246 11.1937 7.86563 numMergedOcc 0
26 mol 167 unq 3 iso 0 dist 6.85239 6.84752 5.75062 4.70068 5.72735 7.02548 numMergedOcc 0
27 mol 167 unq 4 iso 0 dist 5.72735 9.2289 6.15234 4.70068 6.85239 7.68266 numMergedOcc 0
28 mol 167 unq 5 iso 0 dist 5.72735 9.2289 6.15234 10.3445 11.1937 7.6616 numMergedOcc 0
29 mol 167 unq 6 iso 0 dist 5.72735 7.02548 5.75062 4.70068 6.85239 6.84752 numMergedOcc 0
30 mol 167 unq 7 iso 0 dist 5.72735 7.02548 5.75062 10.3445 11.1937 7.86563 numMergedOcc 0
31 mol 170 unq 0 iso 0 dist 6.01758 9.08274 9.2385 8.56034 11.1706 9.51256 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 9.37545 9.3498 4.4877 6.83796 6.02579 7.05695 numMergedOcc 0
33 mol 186 unq 1 iso 0 dist 6.02579 7.05695 4.4877 6.83796 9.37545 9.3498 numMergedOcc 0
34 mol 192 unq 0 iso 0 dist 8.63044 5.64942 10.8255 5.76246 14.2991 6.97962 numMergedOcc 0
35 mol 192 unq 1 iso 0 dist 8.63044 7.43054 12.9782 5.76246 14.2991 6.79229 numMergedOcc 0
36 mol 219 unq 0 iso 0 dist 7.68645 4.33238 6.08582 7.02195 5.75017 7.83604 numMergedOcc 0
37 mol 219 unq 1 iso 0 dist 5.75017 7.83604 6.08582 7.02195 7.68645 4.33238 numMergedOcc 0
38 mol 224 unq 0 iso 0 dist 7.80754 8.08349 9.06907 10.3613 16.4363 9.78218 numMergedOcc 0
39 mol 224 unq 1 iso 0 dist 8.20295 8.08349 13.4882 10.3613 18.4475 9.78218 numMergedOcc 0
40 mol 277 unq 0 iso 0 dist 6.64082 8.9682 14.6245 11.8268 13.1568 9.57499 numMergedOcc 0
41 mol 277 unq 1 iso 0 dist 6.64082 8.9682 14.6245 7.08227 11.3697 5.46926 numMergedOcc 0
42 mol 277 unq 2 iso 0 dist 6.64082 6.92711 13.2277 7.08227 11.3697 5.13913 numMergedOcc 0
