0 mol 58 unq 0 iso 0 dist 7.84983 8.63912 4.23671 11.5882 6.62496 10.2845 11.5448 9.64665 13.4636 4.67832 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 9.56737 8.63912 5.6823 11.5882 6.35756 10.2845 17.0485 8.89374 13.8436 6.47744 numMergedOcc 0
2 mol 152 unq 0 iso 0 dist 9.10619 8.78112 4.84714 9.66339 8.56324 8.9192 10.5988 9.13561 12.0501 5.99333 numMergedOcc 0
3 mol 152 unq 1 iso 0 dist 9.10619 8.78112 4.84714 13.9994 6.70283 9.27706 10.5988 9.13561 12.0501 8.25411 numMergedOcc 0
4 mol 152 unq 2 iso 0 dist 9.10619 8.78112 4.84714 14.2552 7.16148 11.6735 10.5988 9.13561 12.0501 7.89109 numMergedOcc 0
5 mol 175 unq 0 iso 0 dist 9.00898 8.87876 5.57734 5.96451 9.29945 10.8463 13.7622 9.52634 13.2088 9.11521 numMergedOcc 0
6 mol 178 unq 0 iso 0 dist 8.0974 7.97 9.4452 12.2822 6.69288 12.0355 11.6559 8.96511 17.0498 10.5783 numMergedOcc 0
7 mol 178 unq 1 iso 0 dist 8.0974 7.97 9.4452 12.4338 6.43573 14.9034 11.6559 8.96511 17.0498 5.96647 numMergedOcc 0
8 mol 178 unq 2 iso 0 dist 8.0974 7.97 9.4452 13.9722 7.17202 14.659 11.6559 8.96511 17.0498 12.075 numMergedOcc 0
9 mol 178 unq 3 iso 0 dist 8.0974 7.97 9.4452 13.5599 8.81551 16.8397 11.6559 8.96511 17.0498 9.92132 numMergedOcc 0
10 mol 178 unq 4 iso 0 dist 8.0974 6.95432 6.42973 12.2822 6.69288 7.06025 11.6559 8.96511 12.6109 10.5783 numMergedOcc 0
11 mol 178 unq 5 iso 0 dist 8.0974 6.95432 6.42973 12.4338 6.43573 10.0638 11.6559 8.96511 12.6109 5.96647 numMergedOcc 0
12 mol 178 unq 6 iso 0 dist 8.0974 6.95432 6.42973 13.9722 7.17202 13.2692 11.6559 8.96511 12.6109 12.075 numMergedOcc 0
13 mol 178 unq 7 iso 0 dist 8.0974 6.95432 6.42973 13.5599 8.81551 15.0672 11.6559 8.96511 12.6109 9.92132 numMergedOcc 0
14 mol 178 unq 8 iso 0 dist 8.0974 9.32853 10.8373 12.2822 6.69288 15.7548 11.6559 8.96511 18.4773 10.5783 numMergedOcc 0
15 mol 178 unq 9 iso 0 dist 8.0974 9.32853 10.8373 12.4338 6.43573 17.2277 11.6559 8.96511 18.4773 5.96647 numMergedOcc 0
16 mol 178 unq 10 iso 0 dist 8.0974 9.32853 10.8373 13.9722 7.17202 13.544 11.6559 8.96511 18.4773 12.075 numMergedOcc 0
17 mol 178 unq 11 iso 0 dist 8.0974 9.32853 10.8373 13.5599 8.81551 15.2622 11.6559 8.96511 18.4773 9.92132 numMergedOcc 0
18 mol 197 unq 0 iso 0 dist 8.64255 8.18029 9.80333 11.8861 8.56633 16.8142 10.1284 8.99696 11.3848 9.82139 numMergedOcc 0
19 mol 197 unq 1 iso 0 dist 8.64255 8.18029 9.80333 11.8861 8.56633 16.8142 9.91133 7.85058 15 8.72637 numMergedOcc 0
20 mol 197 unq 2 iso 0 dist 8.64255 8.18029 9.80333 11.8861 8.56633 16.8142 8.50763 9.96638 14.9776 5.69148 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 7.31105 7.27248 9.9903 14.6296 9.23153 16.568 12.3402 6.84247 16.5117 6.7067 numMergedOcc 0
22 mol 220 unq 1 iso 0 dist 7.31105 7.27248 9.9903 14.6296 9.23153 16.568 7.84277 6.99002 11.3259 15.9568 numMergedOcc 0
23 mol 220 unq 2 iso 0 dist 7.31105 7.27248 9.9903 9.52692 8.24498 15.7019 12.3402 6.84247 16.5117 6.05129 numMergedOcc 0
24 mol 220 unq 3 iso 0 dist 7.31105 7.27248 9.9903 9.52692 8.24498 15.7019 7.84277 6.99002 11.3259 11.1321 numMergedOcc 0
25 mol 224 unq 0 iso 0 dist 9.33771 8.96784 5.72475 5.41021 8.95269 10.7726 11.498 6.87664 12.117 7.98696 numMergedOcc 0
26 mol 224 unq 1 iso 0 dist 9.33771 8.96784 5.72475 4.91322 6.57273 9.29862 11.498 6.87664 12.117 7.12232 numMergedOcc 0
27 mol 224 unq 2 iso 0 dist 9.33771 8.96784 5.72475 12.979 5.78342 11.3625 11.498 6.87664 12.117 5.3621 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 6.83152 8.28643 10.1427 10.8336 6.57393 16.4383 6.03021 5.38637 12.0545 6.20606 numMergedOcc 0
29 mol 238 unq 1 iso 0 dist 5.24313 8.28643 5.71717 12.1448 7.31233 10.1172 6.03021 6.55759 12.0545 10.4664 numMergedOcc 0
30 mol 238 unq 2 iso 0 dist 5.24313 8.28643 5.71717 12.1448 7.31233 10.1172 5.27451 7.02475 10.3438 11.2717 numMergedOcc 0
31 mol 238 unq 3 iso 0 dist 5.24313 8.28643 5.71717 12.1448 7.31233 10.1172 6.23871 7.67322 7.39547 12.6986 numMergedOcc 0
32 mol 238 unq 4 iso 0 dist 5.24313 8.28643 5.71717 12.1448 7.31233 10.1172 11.3884 7.19008 7.24334 5.17471 numMergedOcc 0
33 mol 248 unq 0 iso 0 dist 8.71859 7.90773 4.58289 4.53213 7.69895 9.05018 4.11367 6.07192 5.0345 6.48757 numMergedOcc 0
34 mol 248 unq 1 iso 0 dist 8.71859 7.90773 4.58289 6.33032 7.21521 9.33962 4.11367 6.07192 5.0345 5.51827 numMergedOcc 0
35 mol 248 unq 2 iso 0 dist 8.71859 7.90773 4.58289 11.762 8.2965 11.4547 4.11367 6.07192 5.0345 9.29921 numMergedOcc 0
36 mol 277 unq 0 iso 0 dist 6.90434 8.18813 3.97543 13.2927 9.7748 12.1398 9.14131 9.41725 12.3265 6.58374 numMergedOcc 0
