0 mol 16 unq 0 iso 0 dist 8.17898 5.72175 5.05803 12.0005 7.03948 6.2983 10.6491 6.92781 6.31718 5.47769 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 7.84393 9.01721 7.82074 6.31174 8.73972 6.55187 14.9301 10.3915 8.4674 14.6255 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 7.84393 9.01721 7.82074 6.31174 8.73972 6.55187 10.1953 5.03957 4.54938 8.23643 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.85331 9.20254 6.86014 8.91397 9.75144 5.39241 10.4452 10.0952 8.86116 12.4274 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.30194 10.5627 6.19304 5.14919 4.65521 7.41074 10.392 5.4148 9.96396 8.70133 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 6.30194 10.5627 6.19304 5.14919 4.65521 7.41074 18.5427 13.3558 8.70481 15.9587 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 5.79954 12.8388 9.96396 13.1044 8.70133 7.41074 10.4766 5.4148 6.19304 4.65521 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 5.79954 12.8388 9.96396 13.1044 8.70133 7.41074 15.4777 14.9342 8.70481 15.9587 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 7.01889 15.0744 9.96396 15.124 8.70133 7.41074 10.997 5.4148 6.19304 4.65521 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 7.01889 15.0744 9.96396 15.124 8.70133 7.41074 17.1639 14.9342 8.70481 15.9587 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 9.22376 5.75796 7.47541 13.0379 7.22293 7.98917 9.8682 6.9948 7.97049 9.47876 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 9.22376 3.85308 7.66905 13.0379 7.22293 11.6116 11.7729 10.7229 7.95579 13.6587 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 9.22376 3.85308 7.66905 13.0379 7.22293 11.6116 9.8682 6.9948 6.19965 9.47876 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 9.56867 9.97256 6.11741 7.97477 6.99777 10.8292 12.7842 8.02349 9.33865 13.9977 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 9.56867 9.97256 6.11741 6.58038 9.14376 6.12943 12.7842 8.02349 9.33865 9.65429 numMergedOcc 0
15 mol 115 unq 2 iso 0 dist 9.56867 7.64822 7.88312 7.97477 6.99777 11.7126 7.44784 11.5723 7.30858 11.695 numMergedOcc 0
16 mol 115 unq 3 iso 0 dist 9.56867 7.64822 7.88312 7.97477 6.99777 11.7126 12.7842 8.02349 5.83991 13.9977 numMergedOcc 0
17 mol 115 unq 4 iso 0 dist 9.56867 7.64822 7.88312 6.58038 9.14376 4.62962 7.44784 11.5723 7.30858 10.0603 numMergedOcc 0
18 mol 115 unq 5 iso 0 dist 9.56867 7.64822 7.88312 6.58038 9.14376 4.62962 12.7842 8.02349 5.83991 9.65429 numMergedOcc 0
19 mol 127 unq 0 iso 0 dist 7.73139 11.0785 9.30299 11.54 9.81878 4.77464 11.1225 7.30196 8.14887 11.7714 numMergedOcc 0
20 mol 127 unq 1 iso 0 dist 6.66607 8.89539 9.30299 6.09683 9.81878 4.77464 12.2522 7.30196 8.14887 11.7714 numMergedOcc 0
21 mol 127 unq 2 iso 0 dist 8.62711 10.345 9.30299 13.376 9.81878 4.77464 6.65963 7.30196 8.14887 11.7714 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 6.30187 5.42582 5.41704 10.738 5.49782 8.94367 8.79571 numMergedOcc 0
23 mol 134 unq 1 iso 0 dist 5.67862 9.52819 6.37586 6.30187 5.42582 5.41704 7.97208 5.00817 6.49416 8.6355 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 5.67862 12.4156 9.71307 6.30187 5.42582 6.17103 10.738 5.49782 9.86662 8.79571 numMergedOcc 0
25 mol 134 unq 3 iso 0 dist 7.97208 12.5576 6.54501 6.30187 8.6355 10.1448 11.8406 5.79898 9.89303 12.0514 numMergedOcc 0
26 mol 134 unq 4 iso 0 dist 7.97208 9.52819 6.49416 6.30187 8.6355 5.41704 10.738 8.80819 8.94367 8.79571 numMergedOcc 0
27 mol 134 unq 5 iso 0 dist 7.97208 9.52819 6.49416 6.30187 8.6355 5.41704 5.67862 5.00817 6.37586 5.42582 numMergedOcc 0
28 mol 155 unq 0 iso 0 dist 7.28355 4.8645 6.23493 10.0058 7.16254 6.3845 10.2528 5.71071 7.46303 9.14392 numMergedOcc 0
29 mol 155 unq 1 iso 0 dist 7.28355 4.8645 6.23493 10.5375 9.86313 5.86939 10.2528 5.71071 7.46303 7.51198 numMergedOcc 0
30 mol 175 unq 0 iso 0 dist 6.73365 5.73338 5.6234 7.92448 9.0664 5.28109 12.3723 6.2715 9.0018 10.689 numMergedOcc 0
31 mol 175 unq 1 iso 0 dist 6.73365 5.73338 5.6234 7.92448 9.0664 5.28109 9.45659 5.35493 6.57069 11.5506 numMergedOcc 0
32 mol 175 unq 2 iso 0 dist 6.73365 12.753 9.92231 7.92448 9.0664 7.14477 12.3723 6.2715 7.652 10.689 numMergedOcc 0
33 mol 175 unq 3 iso 0 dist 6.6776 13.7028 9.0018 10.2578 9.8589 8.22779 11.1815 7.42466 7.652 7.24908 numMergedOcc 0
34 mol 175 unq 4 iso 0 dist 6.6776 10.4662 5.6234 10.2578 9.8589 10.5631 11.1815 7.42466 9.92231 7.24908 numMergedOcc 0
35 mol 181 unq 0 iso 0 dist 9.63295 12.5935 7.63312 10.602 6.93764 4.80231 13.3844 8.85576 7.81386 11.4148 numMergedOcc 0
36 mol 224 unq 0 iso 0 dist 4.79841 11.4653 8.95269 5.64308 7.06793 9.36098 9.04374 4.70378 6.57273 10.0414 numMergedOcc 0
37 mol 224 unq 1 iso 0 dist 4.79841 11.4653 8.95269 5.64308 7.06793 9.36098 15.1903 11.5372 5.78342 12.7072 numMergedOcc 0
38 mol 224 unq 2 iso 0 dist 4.79841 11.4653 8.95269 7.32238 6.67585 5.29877 9.04374 4.70378 6.57273 6.65984 numMergedOcc 0
39 mol 224 unq 3 iso 0 dist 4.79841 11.4653 8.95269 7.32238 6.67585 5.29877 15.1903 11.5372 5.78342 10.667 numMergedOcc 0
40 mol 236 unq 0 iso 0 dist 9.97357 8.3919 8.03456 11.4732 7.17676 11.8759 6.36941 7.28249 9.81562 5.34718 numMergedOcc 0
41 mol 236 unq 1 iso 0 dist 9.97357 8.3919 8.03456 14.1057 6.68463 9.07822 6.36941 7.28249 9.81562 10.5713 numMergedOcc 0
42 mol 236 unq 2 iso 0 dist 9.97357 4.88785 6.84306 11.4732 7.17676 11.3552 6.36941 7.28249 7.68742 5.34718 numMergedOcc 0
43 mol 236 unq 3 iso 0 dist 9.97357 4.88785 6.84306 14.1057 6.68463 11.6837 6.36941 7.28249 7.68742 10.5713 numMergedOcc 0
44 mol 236 unq 4 iso 0 dist 9.97357 10.2557 9.99038 11.4732 7.17676 6.04825 6.36941 7.28249 6.27581 5.34718 numMergedOcc 0
45 mol 236 unq 5 iso 0 dist 9.97357 10.2557 9.99038 14.1057 6.68463 8.8265 6.36941 7.28249 6.27581 10.5713 numMergedOcc 0
46 mol 236 unq 6 iso 0 dist 9.97357 16.5918 8.35971 11.4732 7.17676 6.40312 16.6071 7.43758 8.04248 10.6445 numMergedOcc 0
47 mol 236 unq 7 iso 0 dist 9.97357 16.5918 8.35971 14.1057 6.68463 6.2568 16.6071 7.43758 8.04248 10.5433 numMergedOcc 0
48 mol 236 unq 8 iso 0 dist 6.36941 8.3919 9.81562 11.4732 5.34718 11.8759 9.97357 7.28249 8.03456 7.17676 numMergedOcc 0
49 mol 236 unq 9 iso 0 dist 6.36941 4.88785 7.68742 11.4732 5.34718 11.3552 9.97357 7.28249 6.84306 7.17676 numMergedOcc 0
50 mol 236 unq 10 iso 0 dist 6.36941 10.2557 6.27581 11.4732 5.34718 6.04825 9.97357 7.28249 9.99038 7.17676 numMergedOcc 0
51 mol 248 unq 0 iso 0 dist 6.44967 9.48478 7.69895 7.99967 8.50864 10.1857 11.4848 5.55137 7.21521 11.9152 numMergedOcc 0
52 mol 248 unq 1 iso 0 dist 6.44967 9.48478 7.69895 7.99967 8.50864 10.1857 15.9246 10.8081 8.2965 14.4409 numMergedOcc 0
53 mol 272 unq 0 iso 0 dist 4.78812 5.27123 8.33638 6.99865 6.73206 5.63139 6.62923 5.40809 8.46116 9.09992 numMergedOcc 0
54 mol 272 unq 1 iso 0 dist 6.62923 5.27123 8.46116 6.99865 9.09992 5.63139 4.78812 5.40809 8.33638 6.73206 numMergedOcc 0
55 mol 272 unq 2 iso 0 dist 6.62923 5.27123 8.46116 10.3424 6.16449 8.52877 4.78812 5.40809 8.33638 10.1966 numMergedOcc 0
56 mol 282 unq 0 iso 0 dist 8.58671 8.13794 8.04483 4.91806 6.85028 6.3384 14.7737 10.0156 8.76532 10.4802 numMergedOcc 0
57 mol 282 unq 1 iso 0 dist 8.58671 8.13794 8.04483 4.91806 6.85028 6.3384 11.0247 5.39891 6.33524 7.32347 numMergedOcc 0
58 mol 282 unq 2 iso 0 dist 9.51581 9.67023 6.33524 10.8603 7.32347 6.3384 14.1723 5.39891 8.04483 6.85028 numMergedOcc 0
59 mol 282 unq 3 iso 0 dist 9.51581 9.67023 6.33524 10.8603 7.32347 6.3384 6.84554 4.66602 8.76532 10.4802 numMergedOcc 0
