0 mol 16 unq 0 iso 0 dist 8.17898 5.72175 5.05803 10.6491 6.92781 6.31718 9.62324 6.57331 4.65873 8.43054 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.85331 9.20254 6.86014 10.4452 10.0952 8.86116 14.2196 16.0162 11.6226 8.09311 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.85331 9.20254 6.86014 10.4452 10.0952 8.86116 18.8623 16.8554 13.1949 9.05357 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.35095 5.76725 5.54419 12.4687 12.3067 7.36323 6.2871 10.4135 6.28159 8.87744 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.35095 5.76725 5.54419 12.4687 12.3067 7.36323 7.57832 9.33482 5.50396 7.27472 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 5.87895 5.75653 7.36323 11.0381 12.3067 5.54419 6.73944 11.0181 4.82629 6.6219 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 5.87895 5.75653 7.36323 11.0381 12.3067 5.54419 15.5559 17.003 10.1698 5.68215 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 6.30194 10.5627 6.19304 10.392 5.4148 9.96396 11.1632 7.4369 5.70116 9.73086 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 6.30194 10.5627 6.19304 18.5427 13.3558 8.70481 19.8403 13.8368 11.2069 5.5087 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 6.30194 10.5627 6.19304 18.5427 13.3558 8.70481 20.5078 14.5999 10.6713 6.08682 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 5.79954 12.8388 9.96396 10.4766 5.4148 6.19304 14.7163 12.2276 6.20232 8.68662 numMergedOcc 0
11 mol 73 unq 4 iso 0 dist 5.79954 12.8388 9.96396 10.4766 5.4148 6.19304 11.5216 9.73086 5.70116 7.4369 numMergedOcc 0
12 mol 73 unq 5 iso 0 dist 5.79954 12.8388 9.96396 15.4777 14.9342 8.70481 12.3579 13.3207 11.2069 5.5087 numMergedOcc 0
13 mol 73 unq 6 iso 0 dist 5.79954 12.8388 9.96396 15.4777 14.9342 8.70481 12.8358 14.498 10.6713 6.08682 numMergedOcc 0
14 mol 73 unq 7 iso 0 dist 7.01889 15.0744 9.96396 10.997 5.4148 6.19304 18.8088 12.2276 6.20232 8.68662 numMergedOcc 0
15 mol 73 unq 8 iso 0 dist 7.01889 15.0744 9.96396 10.997 5.4148 6.19304 16.3376 9.73086 5.70116 7.4369 numMergedOcc 0
16 mol 73 unq 9 iso 0 dist 7.01889 15.0744 9.96396 17.1639 14.9342 8.70481 13.9803 13.3207 11.2069 5.5087 numMergedOcc 0
17 mol 73 unq 10 iso 0 dist 7.01889 15.0744 9.96396 17.1639 14.9342 8.70481 17.1561 14.498 10.6713 6.08682 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 7.44784 7.64822 7.30858 12.7842 10.8507 5.83991 12.5653 13.22 6.01673 6.24825 numMergedOcc 0
19 mol 115 unq 1 iso 0 dist 9.56867 9.97256 6.11741 12.7842 8.02349 9.33865 12.5653 10.0255 6.95773 6.24825 numMergedOcc 0
20 mol 115 unq 2 iso 0 dist 9.56867 7.64822 7.88312 7.44784 11.5723 7.30858 6.3642 11.8378 5.03039 6.04595 numMergedOcc 0
21 mol 115 unq 3 iso 0 dist 9.56867 7.64822 7.88312 12.7842 8.02349 5.83991 12.5653 10.0255 6.01673 6.24825 numMergedOcc 0
22 mol 127 unq 0 iso 0 dist 6.65963 10.345 8.14887 8.62711 7.30196 9.30299 9.74982 12.1234 12.8087 6.08673 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 7.15203 9.71227 8.22656 11.0475 5.61668 6.82262 5.94578 8.26547 4.88025 9.05342 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 9.89098 8.96845 9.91388 12.2343 6.761 7.24514 10.5628 12.4934 5.03174 8.26547 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 10.738 5.49782 8.94367 10.8891 7.93372 8.06642 7.21868 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 5.67862 12.4156 9.71307 10.738 5.49782 9.86662 10.8891 7.93372 4.00092 7.21868 numMergedOcc 0
27 mol 134 unq 2 iso 0 dist 7.97208 9.52819 6.49416 10.738 8.80819 8.94367 10.8891 11.988 8.06642 7.21868 numMergedOcc 0
28 mol 134 unq 3 iso 0 dist 7.97208 9.52819 6.49416 5.67862 5.00817 6.37586 7.77359 9.55584 6.95573 9.33924 numMergedOcc 0
29 mol 134 unq 4 iso 0 dist 7.97208 9.52819 6.49416 5.67862 5.00817 6.37586 10.8891 11.988 8.06642 7.93372 numMergedOcc 0
30 mol 155 unq 0 iso 0 dist 7.28355 4.8645 6.23493 10.2528 5.71071 7.46303 13.0389 12.9034 9.16779 8.97626 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 6.86297 8.03427 8.87694 10.7452 5.74635 7.54065 15.669 11.456 11.0961 6.61112 numMergedOcc 0
32 mol 224 unq 0 iso 0 dist 4.79841 11.4653 8.95269 9.04374 4.70378 6.57273 16.8772 13.2325 7.05804 8.79428 numMergedOcc 0
33 mol 224 unq 1 iso 0 dist 4.79841 11.4653 8.95269 15.1903 11.5372 5.78342 16.8772 13.2325 7.05804 6.8692 numMergedOcc 0
34 mol 224 unq 2 iso 0 dist 7.25658 5.38198 6.65832 10.8312 6.77699 6.60589 4.69994 6.99769 5.76843 8.79428 numMergedOcc 0
35 mol 224 unq 3 iso 0 dist 7.25658 5.38198 6.65832 11.1589 11.328 9.16166 4.69994 6.99769 5.76843 6.8692 numMergedOcc 0
36 mol 236 unq 0 iso 0 dist 9.97357 8.3919 8.03456 6.36941 7.28249 9.81562 5.3331 10.1317 4.27181 9.3206 numMergedOcc 0
37 mol 236 unq 1 iso 0 dist 9.97357 4.88785 6.84306 6.36941 7.28249 7.68742 5.3331 10.1317 4.89609 9.3206 numMergedOcc 0
38 mol 236 unq 2 iso 0 dist 9.97357 10.2557 9.99038 6.36941 7.28249 6.27581 5.3331 10.1317 10.5774 9.3206 numMergedOcc 0
39 mol 236 unq 3 iso 0 dist 9.97357 16.5918 8.35971 16.6071 7.43758 8.04248 20.7669 11.5798 4.66414 8.23087 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 6.96379 12.7595 7.88519 11.1532 6.96053 7.46176 10.9987 10.3406 10.067 5.85442 numMergedOcc 0
41 mol 259 unq 1 iso 0 dist 6.96379 12.7595 7.88519 11.1532 6.96053 7.46176 8.41608 9.46361 11.6988 6.95511 numMergedOcc 0
42 mol 280 unq 0 iso 0 dist 9.26066 12.5899 6.53701 12.5331 5.51836 6.0664 8.13853 6.02353 4.90315 6.86234 numMergedOcc 0
