0 mol 7 unq 0 iso 0 dist 5.51421 10.6104 8.41585 11.3302 7.15287 6.22892 16.4746 12.8323 9.87885 12.1855 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 5.95165 3.77561 4.61088 12.4319 7.86896 9.23212 6.50001 4.10106 6.54358 11.3059 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.36377 4.78943 5.05803 7.979 5.72175 8.17898 9.30877 5.01101 6.42835 5.37568 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 6.36377 4.78943 5.05803 7.979 5.72175 8.17898 9.8871 4.65873 6.57331 9.62324 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 13.6121 5.76725 6.35095 14.1706 4.82629 6.6219 5.06352 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 9.54519 13.2653 5.54419 13.6121 5.76725 6.35095 16.6394 10.1698 5.68215 7.63533 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 9.54519 5.80023 7.36323 10.5 5.75653 5.87895 9.49646 6.28159 8.87744 6.87351 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 9.54519 5.80023 7.36323 10.5 5.75653 5.87895 6.36381 5.50396 7.27472 7.79018 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 7.7978 6.8958 7.17396 10.9901 8.94845 6.46655 11.5355 7.31539 6.56212 9.85425 numMergedOcc 0
9 mol 59 unq 1 iso 0 dist 9.55751 5.85228 7.17396 9.41952 8.94845 6.46655 11.9689 7.31539 6.56212 9.85425 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 9.65047 5.69671 8.03644 10.6171 15.4217 8.26838 12.0576 15.6249 8.27883 8.32734 numMergedOcc 0
11 mol 95 unq 1 iso 0 dist 9.65047 5.69671 8.03644 10.6171 15.4217 8.26838 10.4457 12.4896 5.75428 4.79063 numMergedOcc 0
12 mol 95 unq 2 iso 0 dist 9.65047 5.69671 8.03644 10.6171 15.4217 8.26838 9.70292 14.2178 8.57395 4.05985 numMergedOcc 0
13 mol 95 unq 3 iso 0 dist 9.65047 5.69671 8.03644 10.6171 15.4217 8.26838 9.59704 8.78079 9.85409 12.6917 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 8.73648 9.47324 7.34473 12.8615 6.43998 8.46734 13.543 6.73011 6.29161 4.57343 numMergedOcc 0
15 mol 109 unq 1 iso 0 dist 8.73648 9.47324 7.34473 12.8615 6.43998 8.46734 17.3399 13.0886 7.86666 11.3914 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 5.02717 5.28901 7.30858 10.2401 7.64822 7.44784 6.31773 5.03039 6.04595 6.3642 numMergedOcc 0
17 mol 132 unq 0 iso 0 dist 8.7366 4.90475 7.7059 9.00166 6.04014 6.2403 10.6383 12.9631 6.89918 11.6543 numMergedOcc 0
18 mol 132 unq 1 iso 0 dist 8.7366 4.90475 7.7059 7.16287 10.0823 6.495 10.6383 12.9631 6.89918 7.05332 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 8.30654 11.3469 5.99315 14.0167 6.3915 5.30872 12.027 4.78563 5.37047 5.88056 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 8.46129 6.31508 6.65832 10.0045 5.38198 7.25658 6.32334 5.76843 6.99769 4.69994 numMergedOcc 0
21 mol 232 unq 0 iso 0 dist 9.29752 9.60401 8.27212 14.7783 10.134 7.47238 12.6048 5.10213 6.71524 6.2559 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 9.89665 11.247 7.68742 13.6852 4.88785 6.36941 13.747 4.89609 9.3206 5.3331 numMergedOcc 0
23 mol 236 unq 1 iso 0 dist 5.66569 4.15973 6.27581 8.20542 10.2557 6.36941 11.2893 10.5774 9.3206 5.3331 numMergedOcc 0
24 mol 236 unq 2 iso 0 dist 6.11137 9.01197 6.27581 12.2537 10.2557 6.36941 14.0625 10.5774 9.3206 5.3331 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 6.44212 7.97883 6.16342 15.8571 12.1502 9.27989 14.1679 10.6736 6.73665 3.28983 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 5.90645 10.4985 8.13497 12.4319 10.908 6.96379 16.793 12.2293 9.46361 8.41608 numMergedOcc 0
