0 mol 26 unq 0 iso 0 dist 8.4398 8.90473 10.4441 7.65918 13.7155 9.64848 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 7.24022 8.54885 15.3603 7.37634 3.38988 14.5663 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 8.79578 6.72872 5.40129 6.6367 5.15508 6.91496 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 9.53862 5.9651 4.46345 7.51631 15.0083 10.9724 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 6.88001 5.9651 5.53078 7.51631 10.2302 10.9724 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 9.30739 8.27307 5.36659 5.38363 11.2122 8.67853 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 9.30739 6.92837 5.6966 5.38363 11.2122 10.8149 numMergedOcc 0
7 mol 70 unq 0 iso 0 dist 4.86511 8.30653 7.58021 9.87737 10.4666 5.78087 numMergedOcc 0
8 mol 70 unq 1 iso 0 dist 4.86511 8.30653 7.58021 6.7303 7.63128 6.10128 numMergedOcc 0
9 mol 70 unq 2 iso 0 dist 4.86511 6.91739 5.55884 9.87737 10.4666 6.64078 numMergedOcc 0
10 mol 70 unq 3 iso 0 dist 4.86511 6.91739 5.55884 6.7303 7.63128 3.80229 numMergedOcc 0
11 mol 83 unq 0 iso 0 dist 8.90628 9.86416 9.94484 7.88265 5.03153 10.2694 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 5.35254 8.3558 11.188 7.06722 3.47932 9.85978 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 7.45209 7.90775 10.3731 8.6356 14.7221 7.82258 numMergedOcc 0
14 mol 95 unq 1 iso 0 dist 7.45209 8.49531 10.538 8.6356 14.7221 12.6805 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 7.61296 7.2443 5.25443 6.36631 5.70681 6.54263 numMergedOcc 0
16 mol 113 unq 1 iso 0 dist 7.61296 7.2443 5.25443 6.24308 5.08157 3.92558 numMergedOcc 0
17 mol 113 unq 2 iso 0 dist 7.61296 7.2443 5.25443 6.66182 8.98416 7.07985 numMergedOcc 0
18 mol 113 unq 3 iso 0 dist 6.84563 9.70016 4.65309 7.25771 3.7101 5.46207 numMergedOcc 0
19 mol 169 unq 0 iso 0 dist 9.17931 6.28961 7.21088 7.07933 5.88521 5.38859 numMergedOcc 0
20 mol 172 unq 0 iso 0 dist 9.96597 7.63635 4.49796 9.66616 11.4941 7.48009 numMergedOcc 0
21 mol 172 unq 1 iso 0 dist 9.96597 9.94649 13.9105 9.66616 11.4941 4.52195 numMergedOcc 0
22 mol 206 unq 0 iso 0 dist 9.89665 9.90891 17.7866 7.54599 14.3269 9.76121 numMergedOcc 0
23 mol 214 unq 0 iso 0 dist 9.67898 9.43611 4.7088 6.26596 7.25055 4.15355 numMergedOcc 0
24 mol 225 unq 0 iso 0 dist 9.32657 8.14464 12.149 8.81424 15.3903 9.76678 numMergedOcc 0
25 mol 225 unq 1 iso 0 dist 9.32657 8.14464 12.149 9.60949 12.2323 5.41981 numMergedOcc 0
26 mol 225 unq 2 iso 0 dist 9.32657 9.93754 15.9687 8.81424 15.3903 9.72811 numMergedOcc 0
27 mol 225 unq 3 iso 0 dist 9.32657 9.93754 15.9687 9.60949 12.2323 19.3511 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 9.5095 5.60236 6.41255 5.49475 4.65306 4.67058 numMergedOcc 0
29 mol 235 unq 1 iso 0 dist 9.08448 6.45574 14.2726 8.28824 13.1366 4.75609 numMergedOcc 0
30 mol 235 unq 2 iso 0 dist 9.08448 9.03917 13.2732 7.8548 14.6217 4.67058 numMergedOcc 0
31 mol 235 unq 3 iso 0 dist 9.08448 6.56775 5.06584 7.8548 14.6217 10.28 numMergedOcc 0
32 mol 264 unq 0 iso 0 dist 7.2692 9.07206 9.7256 6.26593 5.80008 13.3122 numMergedOcc 0
33 mol 264 unq 1 iso 0 dist 6.5477 9.07206 12.1377 6.26593 8.24367 13.3122 numMergedOcc 0
