0 mol 16 unq 0 iso 0 dist 8.33883 8.63347 4.65873 5.38671 5.05803 6.57331 5.45161 6.31718 8.43054 6.92781 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 8.33883 8.63347 4.65873 5.45161 6.31718 8.43054 5.38671 5.05803 6.57331 6.92781 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.90845 9.03541 4.79736 9.59761 8.86116 12.3058 9.89489 8.38394 10.6772 6.44287 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 9.90845 9.03541 4.79736 9.89489 8.38394 10.6772 9.59761 8.86116 12.3058 6.44287 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 4.98104 8.67475 4.46885 10.7572 7.4729 8.3773 5.50764 6.82344 11.1432 8.95922 numMergedOcc 0
5 mol 92 unq 0 iso 1 dist 4.98104 8.67475 4.46885 5.50764 6.82344 11.1432 10.7572 7.4729 8.3773 8.95922 numMergedOcc 0
6 mol 152 unq 0 iso 0 dist 9.10619 8.78112 4.84714 9.66339 8.56324 8.9192 13.9994 6.70283 9.27706 7.65448 numMergedOcc 0
7 mol 152 unq 0 iso 1 dist 9.10619 8.78112 4.84714 13.9994 6.70283 9.27706 9.66339 8.56324 8.9192 7.65448 numMergedOcc 0
8 mol 152 unq 1 iso 0 dist 9.10619 8.78112 4.84714 9.66339 8.56324 8.9192 14.2552 7.16148 11.6735 10.6875 numMergedOcc 0
9 mol 152 unq 1 iso 1 dist 9.10619 8.78112 4.84714 14.2552 7.16148 11.6735 9.66339 8.56324 8.9192 10.6875 numMergedOcc 0
10 mol 152 unq 1 iso 0 dist 9.10619 8.78112 4.84714 13.9994 6.70283 9.27706 14.2552 7.16148 11.6735 5.49936 numMergedOcc 0
11 mol 152 unq 1 iso 1 dist 9.10619 8.78112 4.84714 14.2552 7.16148 11.6735 13.9994 6.70283 9.27706 5.49936 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 8.0974 7.97 9.4452 12.2822 6.69288 12.0355 12.4338 6.43573 14.9034 5.34677 numMergedOcc 0
13 mol 178 unq 0 iso 1 dist 8.0974 7.97 9.4452 12.4338 6.43573 14.9034 12.2822 6.69288 12.0355 5.34677 numMergedOcc 0
14 mol 178 unq 1 iso 0 dist 8.0974 7.97 9.4452 12.2822 6.69288 12.0355 13.9722 7.17202 14.659 11.7381 numMergedOcc 0
15 mol 178 unq 1 iso 1 dist 8.0974 7.97 9.4452 13.9722 7.17202 14.659 12.2822 6.69288 12.0355 11.7381 numMergedOcc 0
16 mol 178 unq 2 iso 0 dist 8.0974 7.97 9.4452 12.2822 6.69288 12.0355 13.5599 8.81551 16.8397 14.0703 numMergedOcc 0
17 mol 178 unq 2 iso 1 dist 8.0974 7.97 9.4452 13.5599 8.81551 16.8397 12.2822 6.69288 12.0355 14.0703 numMergedOcc 0
18 mol 178 unq 1 iso 0 dist 8.0974 7.97 9.4452 12.4338 6.43573 14.9034 13.9722 7.17202 14.659 9.89739 numMergedOcc 0
19 mol 178 unq 1 iso 1 dist 8.0974 7.97 9.4452 13.9722 7.17202 14.659 12.4338 6.43573 14.9034 9.89739 numMergedOcc 0
20 mol 178 unq 2 iso 0 dist 8.0974 7.97 9.4452 12.4338 6.43573 14.9034 13.5599 8.81551 16.8397 10.5529 numMergedOcc 0
21 mol 178 unq 2 iso 1 dist 8.0974 7.97 9.4452 13.5599 8.81551 16.8397 12.4338 6.43573 14.9034 10.5529 numMergedOcc 0
22 mol 178 unq 2 iso 0 dist 8.0974 7.97 9.4452 13.9722 7.17202 14.659 13.5599 8.81551 16.8397 5.18005 numMergedOcc 0
23 mol 178 unq 2 iso 1 dist 8.0974 7.97 9.4452 13.5599 8.81551 16.8397 13.9722 7.17202 14.659 5.18005 numMergedOcc 0
24 mol 178 unq 3 iso 0 dist 8.0974 6.95432 6.42973 12.2822 6.69288 7.06025 12.4338 6.43573 10.0638 5.34677 numMergedOcc 0
25 mol 178 unq 3 iso 1 dist 8.0974 6.95432 6.42973 12.4338 6.43573 10.0638 12.2822 6.69288 7.06025 5.34677 numMergedOcc 0
26 mol 178 unq 4 iso 0 dist 8.0974 6.95432 6.42973 12.2822 6.69288 7.06025 13.9722 7.17202 13.2692 11.7381 numMergedOcc 0
27 mol 178 unq 4 iso 1 dist 8.0974 6.95432 6.42973 13.9722 7.17202 13.2692 12.2822 6.69288 7.06025 11.7381 numMergedOcc 0
28 mol 178 unq 5 iso 0 dist 8.0974 6.95432 6.42973 12.2822 6.69288 7.06025 13.5599 8.81551 15.0672 14.0703 numMergedOcc 0
29 mol 178 unq 5 iso 1 dist 8.0974 6.95432 6.42973 13.5599 8.81551 15.0672 12.2822 6.69288 7.06025 14.0703 numMergedOcc 0
30 mol 178 unq 4 iso 0 dist 8.0974 6.95432 6.42973 12.4338 6.43573 10.0638 13.9722 7.17202 13.2692 9.89739 numMergedOcc 0
31 mol 178 unq 4 iso 1 dist 8.0974 6.95432 6.42973 13.9722 7.17202 13.2692 12.4338 6.43573 10.0638 9.89739 numMergedOcc 0
32 mol 178 unq 5 iso 0 dist 8.0974 6.95432 6.42973 12.4338 6.43573 10.0638 13.5599 8.81551 15.0672 10.5529 numMergedOcc 0
33 mol 178 unq 5 iso 1 dist 8.0974 6.95432 6.42973 13.5599 8.81551 15.0672 12.4338 6.43573 10.0638 10.5529 numMergedOcc 0
34 mol 178 unq 5 iso 0 dist 8.0974 6.95432 6.42973 13.9722 7.17202 13.2692 13.5599 8.81551 15.0672 5.18005 numMergedOcc 0
35 mol 178 unq 5 iso 1 dist 8.0974 6.95432 6.42973 13.5599 8.81551 15.0672 13.9722 7.17202 13.2692 5.18005 numMergedOcc 0
36 mol 178 unq 6 iso 0 dist 8.0974 9.32853 10.8373 12.2822 6.69288 15.7548 12.4338 6.43573 17.2277 5.34677 numMergedOcc 0
37 mol 178 unq 6 iso 1 dist 8.0974 9.32853 10.8373 12.4338 6.43573 17.2277 12.2822 6.69288 15.7548 5.34677 numMergedOcc 0
38 mol 178 unq 7 iso 0 dist 8.0974 9.32853 10.8373 12.2822 6.69288 15.7548 13.9722 7.17202 13.544 11.7381 numMergedOcc 0
39 mol 178 unq 7 iso 1 dist 8.0974 9.32853 10.8373 13.9722 7.17202 13.544 12.2822 6.69288 15.7548 11.7381 numMergedOcc 0
40 mol 178 unq 8 iso 0 dist 8.0974 9.32853 10.8373 12.2822 6.69288 15.7548 13.5599 8.81551 15.2622 14.0703 numMergedOcc 0
41 mol 178 unq 8 iso 1 dist 8.0974 9.32853 10.8373 13.5599 8.81551 15.2622 12.2822 6.69288 15.7548 14.0703 numMergedOcc 0
42 mol 178 unq 7 iso 0 dist 8.0974 9.32853 10.8373 12.4338 6.43573 17.2277 13.9722 7.17202 13.544 9.89739 numMergedOcc 0
43 mol 178 unq 7 iso 1 dist 8.0974 9.32853 10.8373 13.9722 7.17202 13.544 12.4338 6.43573 17.2277 9.89739 numMergedOcc 0
44 mol 178 unq 8 iso 0 dist 8.0974 9.32853 10.8373 12.4338 6.43573 17.2277 13.5599 8.81551 15.2622 10.5529 numMergedOcc 0
45 mol 178 unq 8 iso 1 dist 8.0974 9.32853 10.8373 13.5599 8.81551 15.2622 12.4338 6.43573 17.2277 10.5529 numMergedOcc 0
46 mol 178 unq 8 iso 0 dist 8.0974 9.32853 10.8373 13.9722 7.17202 13.544 13.5599 8.81551 15.2622 5.18005 numMergedOcc 0
47 mol 178 unq 8 iso 1 dist 8.0974 9.32853 10.8373 13.5599 8.81551 15.2622 13.9722 7.17202 13.544 5.18005 numMergedOcc 0
48 mol 220 unq 0 iso 0 dist 7.31105 7.27248 9.9903 14.6296 9.23153 16.568 9.52692 8.24498 15.7019 10.5449 numMergedOcc 0
49 mol 220 unq 0 iso 1 dist 7.31105 7.27248 9.9903 9.52692 8.24498 15.7019 14.6296 9.23153 16.568 10.5449 numMergedOcc 0
50 mol 224 unq 0 iso 0 dist 9.33771 8.96784 5.72475 5.41021 8.95269 10.7726 4.91322 6.57273 9.29862 4.70378 numMergedOcc 0
51 mol 224 unq 0 iso 1 dist 9.33771 8.96784 5.72475 4.91322 6.57273 9.29862 5.41021 8.95269 10.7726 4.70378 numMergedOcc 0
52 mol 224 unq 1 iso 0 dist 9.33771 8.96784 5.72475 5.41021 8.95269 10.7726 12.979 5.78342 11.3625 11.5372 numMergedOcc 0
53 mol 224 unq 1 iso 1 dist 9.33771 8.96784 5.72475 12.979 5.78342 11.3625 5.41021 8.95269 10.7726 11.5372 numMergedOcc 0
54 mol 224 unq 1 iso 0 dist 9.33771 8.96784 5.72475 4.91322 6.57273 9.29862 12.979 5.78342 11.3625 8.49799 numMergedOcc 0
55 mol 224 unq 1 iso 1 dist 9.33771 8.96784 5.72475 12.979 5.78342 11.3625 4.91322 6.57273 9.29862 8.49799 numMergedOcc 0
56 mol 224 unq 2 iso 0 dist 7.39839 8.96784 4.7981 7.65225 6.65832 11.2123 4.91322 6.60589 9.29862 6.77699 numMergedOcc 0
57 mol 224 unq 2 iso 1 dist 7.39839 8.96784 4.7981 4.91322 6.60589 9.29862 7.65225 6.65832 11.2123 6.77699 numMergedOcc 0
58 mol 224 unq 3 iso 0 dist 7.39839 8.96784 4.7981 7.65225 6.65832 11.2123 12.979 9.16166 11.3625 11.328 numMergedOcc 0
59 mol 224 unq 3 iso 1 dist 7.39839 8.96784 4.7981 12.979 9.16166 11.3625 7.65225 6.65832 11.2123 11.328 numMergedOcc 0
60 mol 224 unq 3 iso 0 dist 7.39839 8.96784 4.7981 4.91322 6.60589 9.29862 12.979 9.16166 11.3625 8.49799 numMergedOcc 0
61 mol 224 unq 3 iso 1 dist 7.39839 8.96784 4.7981 12.979 9.16166 11.3625 4.91322 6.60589 9.29862 8.49799 numMergedOcc 0
62 mol 236 unq 0 iso 0 dist 8.77254 6.92437 4.66414 5.74377 8.04248 8.23087 10.054 8.35971 11.5798 7.43758 numMergedOcc 0
63 mol 236 unq 0 iso 1 dist 8.77254 6.92437 4.66414 10.054 8.35971 11.5798 5.74377 8.04248 8.23087 7.43758 numMergedOcc 0
64 mol 248 unq 0 iso 0 dist 8.71859 7.90773 4.58289 4.53213 7.69895 9.05018 6.33032 7.21521 9.33962 5.55137 numMergedOcc 0
65 mol 248 unq 0 iso 1 dist 8.71859 7.90773 4.58289 6.33032 7.21521 9.33962 4.53213 7.69895 9.05018 5.55137 numMergedOcc 0
66 mol 248 unq 1 iso 0 dist 8.71859 7.90773 4.58289 4.53213 7.69895 9.05018 11.762 8.2965 11.4547 10.8081 numMergedOcc 0
67 mol 248 unq 1 iso 1 dist 8.71859 7.90773 4.58289 11.762 8.2965 11.4547 4.53213 7.69895 9.05018 10.8081 numMergedOcc 0
68 mol 248 unq 1 iso 0 dist 8.71859 7.90773 4.58289 6.33032 7.21521 9.33962 11.762 8.2965 11.4547 5.86196 numMergedOcc 0
69 mol 248 unq 1 iso 1 dist 8.71859 7.90773 4.58289 11.762 8.2965 11.4547 6.33032 7.21521 9.33962 5.86196 numMergedOcc 0
70 mol 252 unq 0 iso 0 dist 9.73021 4.54745 7.40852 16.5881 8.33025 13.1298 12.5855 9.2288 10.5687 8.41807 numMergedOcc 0
71 mol 252 unq 0 iso 1 dist 9.73021 4.54745 7.40852 12.5855 9.2288 10.5687 16.5881 8.33025 13.1298 8.41807 numMergedOcc 0
72 mol 252 unq 1 iso 0 dist 9.73021 4.54745 7.40852 16.5881 8.33025 13.1298 5.26867 7.19638 7.15764 14.9102 numMergedOcc 0
73 mol 252 unq 1 iso 1 dist 9.73021 4.54745 7.40852 5.26867 7.19638 7.15764 16.5881 8.33025 13.1298 14.9102 numMergedOcc 0
74 mol 252 unq 1 iso 0 dist 9.73021 4.54745 7.40852 12.5855 9.2288 10.5687 5.26867 7.19638 7.15764 11.7918 numMergedOcc 0
75 mol 252 unq 1 iso 1 dist 9.73021 4.54745 7.40852 5.26867 7.19638 7.15764 12.5855 9.2288 10.5687 11.7918 numMergedOcc 0
