0 mol 7 unq 0 iso 0 dist 6.0323 7.15434 5.70161 8.75346 11.2505 9.67164 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 7.72142 6.28033 5.59769 6.64634 12.2105 7.65889 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 6.72533 6.39243 4.96555 4.95319 8.43157 5.65084 numMergedOcc 0
3 mol 18 unq 1 iso 0 dist 8.29216 9.1715 4.96555 6.19959 8.43157 5.65084 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 9.72314 9.28932 10.6695 6.01658 12.577 6.07517 numMergedOcc 0
5 mol 30 unq 1 iso 0 dist 9.72314 6.83481 6.40527 6.01658 12.577 6.74179 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 7.53564 9.17086 10.323 4.9903 10.872 6.6263 numMergedOcc 0
7 mol 45 unq 0 iso 0 dist 5.90391 6.32012 5.2876 5.52643 8.81519 5.94756 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 8.71615 6.7212 5.46166 11.1406 14.376 9.55118 numMergedOcc 0
9 mol 72 unq 1 iso 0 dist 8.71615 6.7212 5.46166 8.28664 10.4964 9.10345 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 7.84699 8.124 5.2774 15.7072 9.71578 8.68662 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 7.84699 8.124 5.2774 15.2252 10.1662 7.4369 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 8.40844 8.124 5.44275 15.7072 12.3622 8.68662 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 8.40844 8.124 5.44275 15.2252 11.4233 7.4369 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 6.99156 8.124 8.0624 15.7072 14.4361 8.68662 numMergedOcc 0
15 mol 73 unq 5 iso 0 dist 6.99156 8.124 8.0624 15.2252 14.3455 7.4369 numMergedOcc 0
16 mol 73 unq 6 iso 0 dist 7.02351 8.16299 11.2674 6.52486 11.9031 5.5087 numMergedOcc 0
17 mol 73 unq 7 iso 0 dist 7.02351 8.16299 11.2674 10.9731 14.3253 6.08682 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 4.85152 5.90776 6.82886 5.30951 9.92138 7.13008 numMergedOcc 0
19 mol 93 unq 0 iso 0 dist 8.88685 8.91446 10.7957 6.76244 14.7511 9.22631 numMergedOcc 0
20 mol 109 unq 0 iso 0 dist 9.2046 7.51061 10.6667 6.98893 14.0731 6.29161 numMergedOcc 0
21 mol 109 unq 1 iso 0 dist 9.2046 7.51061 10.6667 11.231 13.4191 7.86666 numMergedOcc 0
22 mol 117 unq 0 iso 0 dist 8.30003 7.0318 10.4589 7.5937 13.8641 6.10127 numMergedOcc 0
23 mol 131 unq 0 iso 0 dist 7.8034 9.33945 8.25445 9.88758 9.5782 9.27976 numMergedOcc 0
24 mol 141 unq 0 iso 0 dist 8.51265 7.34465 13.1327 11.1983 16.4709 8.07097 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 8.03259 8.90247 6.94401 11.9701 13.418 9.76212 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 8.03259 6.58792 5.07895 11.9701 13.418 8.59874 numMergedOcc 0
27 mol 218 unq 0 iso 0 dist 5.98076 4.851 8.31343 6.13691 8.38813 6.67404 numMergedOcc 0
28 mol 239 unq 0 iso 0 dist 4.21935 6.83046 5.29737 8.15025 7.69491 6.73665 numMergedOcc 0
29 mol 279 unq 0 iso 0 dist 8.36655 8.68797 5.34376 5.03816 8.9352 6.35028 numMergedOcc 0
30 mol 279 unq 1 iso 0 dist 8.76889 5.70546 9.36068 6.39046 11.76 7.24366 numMergedOcc 0
31 mol 279 unq 2 iso 0 dist 6.37469 5.70546 5.13535 6.39046 10.4344 7.24366 numMergedOcc 0
