0 mol 54 unq 0 iso 0 dist 4.38047 4.94741 5.7405 6.76462 6.14538 10.4238 5.97635 4.29856 5.59773 6.83299 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 8.85981 6.07317 9.78973 10.8619 7.16773 7.91078 15.2938 6.63327 14.838 8.66265 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 5.84625 7.7624 7.88172 5.40367 8.80614 12.965 9.01612 10.2049 15.9015 6.86465 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 5.84625 7.7624 7.88172 5.40367 8.80614 12.965 6.36193 9.95364 12.9181 6.62496 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 5.84625 7.7624 7.88172 5.40367 8.80614 12.965 4.88613 5.49591 10.671 6.35756 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 9.18898 14.8919 7.44343 4.52119 6.95572 11.8037 11.8917 9.50382 9.514 7.4729 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 9.18898 14.8919 7.44343 4.52119 6.95572 11.8037 9.79361 7.56363 13.0248 6.82344 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 6.16862 8.83212 5.80404 12.7925 9.22232 6.80292 18.2779 16.0138 13.0521 7.11802 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 9.70325 11.075 5.80404 15.4258 9.22232 6.80292 20.1948 16.0138 13.0521 7.11802 numMergedOcc 0
9 mol 167 unq 0 iso 0 dist 9.14629 7.8548 9.69399 7.91498 9.67741 12.5567 16.5098 13.0123 20.4488 9.87651 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 7.4513 5.13031 9.05637 8.0303 6.59716 6.24624 10.6535 7.11498 13.1834 9.23153 numMergedOcc 0
11 mol 223 unq 0 iso 0 dist 7.81769 5.59816 6.64193 8.78003 7.48463 4.67731 16.8669 11.8654 12.0111 8.77153 numMergedOcc 0
12 mol 223 unq 1 iso 0 dist 7.81769 5.59816 6.64193 8.78003 7.48463 4.67731 13.1127 6.05524 10.6785 8.6166 numMergedOcc 0
13 mol 223 unq 2 iso 0 dist 7.66694 4.04961 6.64193 5.33327 7.48463 4.67731 13.9834 11.8654 12.0111 8.77153 numMergedOcc 0
14 mol 223 unq 3 iso 0 dist 7.66694 4.04961 6.64193 5.33327 7.48463 4.67731 11.478 6.05524 10.6785 8.6166 numMergedOcc 0
15 mol 232 unq 0 iso 0 dist 7.83422 8.47021 6.23146 9.60401 9.05071 13.6402 9.29752 8.80479 9.36645 8.27212 numMergedOcc 0
16 mol 249 unq 0 iso 0 dist 6.58109 5.34664 4.68783 9.9244 5.48118 9.82483 15.0261 10.7772 15.3404 7.57994 numMergedOcc 0
17 mol 249 unq 1 iso 0 dist 6.58109 5.34664 4.68783 9.9244 5.48118 9.82483 10.454 7.04666 11.128 6.18582 numMergedOcc 0
18 mol 264 unq 0 iso 0 dist 9.3201 9.00704 9.14393 3.93713 7.16853 10.0289 13.1873 11.1431 16.8589 9.361 numMergedOcc 0
19 mol 264 unq 1 iso 0 dist 9.3201 9.00704 9.14393 3.93713 7.16853 10.0289 8.19504 5.00209 6.75305 6.24356 numMergedOcc 0
