0 mol 53 unq 0 iso 0 dist 7.57267 7.08383 5.13716 6.6473 4.00059 6.5368 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 9.23164 9.72287 13.0602 8.12626 4.08338 9.15052 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 7.52742 9.66549 13.8964 6.24296 8.175 13.0679 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 7.52742 9.66549 13.8964 6.83218 9.3414 15.4283 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 8.42914 7.62621 4.23238 6.64714 8.88262 6.44712 numMergedOcc 0
5 mol 91 unq 1 iso 0 dist 8.17327 7.62621 6.31416 6.64714 11.1951 6.44712 numMergedOcc 0
6 mol 91 unq 2 iso 0 dist 9.52936 7.62621 4.23182 6.64714 10.5022 6.44712 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 5.27541 8.84466 8.74935 9.43355 8.99253 3.91263 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 5.27541 8.84466 8.74935 5.64141 3.78587 5.59024 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 5.27541 8.84466 8.74935 5.46186 10.5386 12.9872 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 5.27541 9.2948 13.5058 9.43355 8.99253 15.8131 numMergedOcc 0
11 mol 93 unq 4 iso 0 dist 5.27541 9.2948 13.5058 5.64141 3.78587 13.6266 numMergedOcc 0
12 mol 93 unq 5 iso 0 dist 5.27541 9.2948 13.5058 5.46186 10.5386 5.17052 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 5.52744 7.45384 8.66215 9.22792 11.7817 14.8878 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 5.52744 7.45384 8.66215 7.85696 8.23538 12.1704 numMergedOcc 0
15 mol 186 unq 2 iso 0 dist 5.52744 7.45384 8.66215 5.00402 5.74741 10.8153 numMergedOcc 0
16 mol 186 unq 3 iso 0 dist 5.52744 7.45384 8.66215 6.17773 3.88002 7.87503 numMergedOcc 0
17 mol 186 unq 4 iso 0 dist 6.23859 4.85577 4.12397 7.81696 7.48305 3.85767 numMergedOcc 0
18 mol 278 unq 0 iso 0 dist 6.08019 8.78758 7.42864 9.90216 7.33993 3.58134 numMergedOcc 0
19 mol 283 unq 0 iso 0 dist 9.74822 8.28068 7.85589 8.106 9.46362 3.77125 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 5.06731 8.19213 4.22529 9.98518 11.2805 10.8866 numMergedOcc 0
21 mol 287 unq 1 iso 0 dist 5.06731 5.80664 8.19487 9.98518 11.2805 7.54288 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 5.06731 8.19213 4.22529 9.98518 11.2805 10.8866 numMergedOcc 0
23 mol 288 unq 1 iso 0 dist 5.06731 5.80664 8.19487 9.98518 11.2805 7.54288 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 5.06731 8.19213 4.22529 9.98518 11.2805 10.8866 numMergedOcc 0
25 mol 289 unq 1 iso 0 dist 5.06731 5.80664 8.19487 9.98518 11.2805 7.54288 numMergedOcc 0
