0 mol 7 unq 0 iso 0 dist 9.20552 15.1647 8.41585 5.26458 5.99972 12.0193 16.2149 14.7759 9.68596 14.5216 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 7.40392 8.23069 5.54419 8.92687 8.4051 5.11617 8.56483 5.59311 8.70827 12.8389 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 7.40392 8.23069 5.54419 8.92687 8.4051 5.11617 13.3777 12.176 6.73939 6.72323 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 7.40392 8.23069 5.54419 13.278 8.23446 13.1779 8.56483 5.59311 8.70827 11.4596 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 7.40392 8.23069 5.54419 13.278 8.23446 13.1779 13.3777 12.176 6.73939 19.0465 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 7.40392 8.23069 5.54419 5.12527 8.75662 10.8238 8.56483 5.59311 8.70827 11.6684 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 7.40392 8.23069 5.54419 5.12527 8.75662 10.8238 13.3777 12.176 6.73939 15.7523 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 7.40392 8.59466 7.36323 8.92687 8.4051 13.2229 8.56483 5.59311 9.12854 12.8389 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 7.40392 8.59466 7.36323 13.278 8.23446 6.38336 8.56483 5.59311 9.12854 11.4596 numMergedOcc 0
9 mol 24 unq 8 iso 0 dist 7.40392 8.59466 7.36323 5.12527 8.75662 6.7828 8.56483 5.59311 9.12854 11.6684 numMergedOcc 0
10 mol 25 unq 0 iso 0 dist 8.94828 14.2406 7.57578 6.84017 6.16347 9.34396 12.0615 6.08585 8.50222 6.25843 numMergedOcc 0
11 mol 25 unq 1 iso 0 dist 8.94828 14.2406 7.57578 15.5398 7.92503 6.11127 12.0615 6.08585 8.50222 11.4912 numMergedOcc 0
12 mol 25 unq 2 iso 0 dist 8.94828 15.6642 7.17969 6.84017 6.16347 10.8498 12.0615 6.08585 7.55264 6.25843 numMergedOcc 0
13 mol 25 unq 3 iso 0 dist 8.94828 15.6642 7.17969 15.5398 7.92503 5.30154 12.0615 6.08585 7.55264 11.4912 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 9.81637 11.9429 6.62496 6.18332 5.93884 5.78774 14.7768 9.95364 8.80614 10.2007 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 9.83528 12.3158 5.08437 15.5475 6.65501 4.4057 11.7625 7.06961 6.7117 6.88901 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 9.83528 8.06684 6.10456 15.5475 6.65501 9.67482 11.7625 7.06961 4.47349 6.88901 numMergedOcc 0
17 mol 98 unq 2 iso 0 dist 7.54969 11.7493 5.08437 13.2316 6.65501 4.4057 9.49967 7.06961 6.7117 6.88901 numMergedOcc 0
18 mol 98 unq 3 iso 0 dist 7.54969 5.15322 6.10456 13.2316 6.65501 9.67482 9.49967 7.06961 4.47349 6.88901 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 4.68975 9.30817 9.89303 6.64576 5.83771 7.41674 7.85849 4.60632 7.69991 6.40575 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 4.9155 9.30817 6.54501 6.64576 7.80532 7.41674 7.85849 5.71679 7.69991 6.40575 numMergedOcc 0
21 mol 134 unq 2 iso 0 dist 4.9155 10.879 6.49416 6.64576 7.80532 9.87376 7.85849 5.71679 6.23142 6.40575 numMergedOcc 0
22 mol 134 unq 3 iso 0 dist 8.49987 6.47843 6.54501 5.54455 7.80532 7.41674 10.2775 5.71679 7.69991 6.40575 numMergedOcc 0
23 mol 134 unq 4 iso 0 dist 8.49987 10.9399 6.49416 5.54455 7.80532 9.87376 10.2775 5.71679 6.23142 6.40575 numMergedOcc 0
24 mol 134 unq 5 iso 0 dist 9.42271 6.16353 6.54501 5.87436 7.80532 7.41674 6.08299 5.71679 7.69991 6.40575 numMergedOcc 0
25 mol 134 unq 6 iso 0 dist 9.42271 7.07625 6.49416 5.87436 7.80532 9.87376 6.08299 5.71679 6.23142 6.40575 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 9.74465 8.42326 8.03334 5.03999 6.46704 4.43096 12.3404 7.81713 6.2479 7.32087 numMergedOcc 0
27 mol 181 unq 1 iso 0 dist 9.74465 8.42326 8.03334 13.5125 6.59025 8.04639 12.3404 7.81713 6.2479 8.86197 numMergedOcc 0
28 mol 231 unq 0 iso 0 dist 6.02527 6.68357 7.37839 6.46271 7.79066 9.0443 10.2835 6.37275 6.98875 12.7246 numMergedOcc 0
29 mol 231 unq 1 iso 0 dist 6.02527 7.6832 8.40182 6.46271 7.79066 12.1512 10.2835 6.37275 6.54852 12.7246 numMergedOcc 0
30 mol 232 unq 0 iso 0 dist 7.57253 9.29407 8.27212 5.70548 9.05071 8.80479 11.059 4.9377 9.40808 9.8664 numMergedOcc 0
31 mol 264 unq 0 iso 0 dist 7.37999 11.0659 6.24356 10.9458 7.16853 5.00209 13.4374 7.52936 5.93616 10.3854 numMergedOcc 0
32 mol 264 unq 1 iso 0 dist 7.36703 5.91731 6.24356 6.24807 7.16853 5.00209 10.6141 7.52936 5.93616 10.3854 numMergedOcc 0
33 mol 274 unq 0 iso 0 dist 9.13226 10.7073 7.56915 8.85159 9.85289 6.20558 6.74022 5.29529 8.52587 6.88827 numMergedOcc 0
