0 mol 10 unq 0 iso 0 dist 8.44864 5.94361 5.59965 4.87706 9.43029 4.99208 10.0703 7.8329 9.76721 9.80612 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.99751 9.62452 7.35861 13.4787 9.36924 6.88067 3.30063 9.82851 12.335 15.8256 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.44507 14.288 6.56527 8.43529 6.7142 10.0347 3.30063 9.11311 12.5394 7.78809 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 9.30674 7.40218 7.35861 12.9136 9.36924 6.88067 6.79894 9.82851 12.335 15.8256 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 8.25567 3.9882 7.35861 10.8015 9.36924 6.88067 10.8557 9.82851 12.335 15.8256 numMergedOcc 0
5 mol 55 unq 0 iso 0 dist 6.66861 10.042 9.93096 6.89662 8.70598 10.7467 6.77823 6.76315 3.56023 8.04215 numMergedOcc 0
6 mol 55 unq 1 iso 0 dist 6.72084 12.1572 9.93096 3.74852 8.70598 10.7467 8.80267 6.76315 3.56023 8.04215 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 5.51406 10.4949 8.66165 6.44712 8.77355 10.6223 8.88997 9.97813 5.21888 9.60912 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 7.4518 14.4094 8.89417 3.91263 7.28831 11.7638 14.6061 7.83506 5.90646 13.1331 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 7.4518 9.73718 9.95255 3.91263 7.28831 5.93472 14.6061 7.83506 12.949 13.1331 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 9.66068 14.6132 6.6317 8.60362 9.30645 9.74974 3.74516 7.40338 13.2601 9.59189 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 8.95598 12.4352 7.54099 6.60692 7.81263 7.81466 9.10254 7.02762 4.12242 3.74437 numMergedOcc 0
12 mol 244 unq 0 iso 0 dist 8.08939 8.89726 7.95359 10.7011 6.53416 3.92686 15.1141 9.30179 8.74744 4.99117 numMergedOcc 0
13 mol 244 unq 1 iso 0 dist 8.08939 8.89726 7.95359 10.7011 6.53416 3.92686 3.62882 6.10489 5.98501 7.28456 numMergedOcc 0
14 mol 244 unq 2 iso 0 dist 8.08939 8.89726 7.95359 10.7011 6.53416 3.92686 7.8506 4.4204 5.00596 5.39452 numMergedOcc 0
15 mol 244 unq 3 iso 0 dist 8.08939 10.6799 6.22122 10.7011 6.53416 10.3324 15.1141 9.30179 13.2473 4.99117 numMergedOcc 0
16 mol 244 unq 4 iso 0 dist 8.08939 10.6799 6.22122 10.7011 6.53416 10.3324 3.62882 6.10489 10.1665 7.28456 numMergedOcc 0
17 mol 244 unq 5 iso 0 dist 8.08939 10.6799 6.22122 10.7011 6.53416 10.3324 7.8506 4.4204 5.68434 5.39452 numMergedOcc 0
18 mol 244 unq 6 iso 0 dist 7.33574 4.55034 7.95359 7.2524 6.53416 3.92686 12.1511 9.30179 8.74744 4.99117 numMergedOcc 0
19 mol 244 unq 7 iso 0 dist 7.33574 4.55034 7.95359 7.2524 6.53416 3.92686 5.2503 6.10489 5.98501 7.28456 numMergedOcc 0
20 mol 244 unq 8 iso 0 dist 7.33574 4.55034 7.95359 7.2524 6.53416 3.92686 3.66626 4.4204 5.00596 5.39452 numMergedOcc 0
21 mol 244 unq 9 iso 0 dist 7.33574 8.05133 6.22122 7.2524 6.53416 10.3324 12.1511 9.30179 13.2473 4.99117 numMergedOcc 0
22 mol 244 unq 10 iso 0 dist 7.33574 8.05133 6.22122 7.2524 6.53416 10.3324 5.2503 6.10489 10.1665 7.28456 numMergedOcc 0
23 mol 244 unq 11 iso 0 dist 7.33574 8.05133 6.22122 7.2524 6.53416 10.3324 3.66626 4.4204 5.68434 5.39452 numMergedOcc 0
24 mol 260 unq 0 iso 0 dist 5.68717 7.55193 9.32954 9.0549 6.75725 9.07649 3.48905 6.49413 4.07425 8.04546 numMergedOcc 0
25 mol 260 unq 1 iso 0 dist 5.68717 7.55193 9.32954 9.0549 6.75725 9.07649 3.43711 6.12343 9.82931 8.22506 numMergedOcc 0
26 mol 260 unq 2 iso 0 dist 5.68717 7.55193 9.32954 9.0549 6.75725 9.07649 8.84611 4.52405 9.36278 3.68866 numMergedOcc 0
27 mol 260 unq 3 iso 0 dist 5.68717 7.55193 9.32954 6.73886 9.31888 9.46408 3.48905 6.49413 4.07425 7.35802 numMergedOcc 0
28 mol 260 unq 4 iso 0 dist 5.68717 7.55193 9.32954 6.73886 9.31888 9.46408 3.43711 6.12343 9.82931 9.94995 numMergedOcc 0
29 mol 260 unq 5 iso 0 dist 5.68717 7.55193 9.32954 6.73886 9.31888 9.46408 8.84611 4.52405 9.36278 12.8784 numMergedOcc 0
30 mol 273 unq 0 iso 0 dist 6.38341 7.55971 7.16346 3.80794 7.85836 8.43367 10.2963 9.81919 9.84575 7.37764 numMergedOcc 0
31 mol 273 unq 1 iso 0 dist 6.38341 7.55971 7.16346 5.19474 6.35532 3.78984 10.2963 9.81919 9.84575 7.04946 numMergedOcc 0
