0 mol 0 unq 0 iso 0 dist 7.65806 9.99338 4.99728 9.72725 6.0225 7.05033 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.41585 6.28925 10.6847 9.87885 12.8323 5.35168 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.10621 8.70159 4.87279 6.1206 7.12508 5.35168 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 7.10621 8.70159 4.87279 7.67927 11.143 10.1219 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 5.73819 8.92291 5.54797 6.66407 5.07458 10.0882 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 8.8178 8.96978 8.39969 7.12321 4.27726 6.82436 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 9.96708 8.96978 4.45372 7.12321 7.47371 6.82436 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 9.38498 9.33919 15.9091 9.73086 17.4121 10.4668 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 9.96396 9.33919 7.9151 9.73086 5.70116 10.4668 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 6.19304 9.79143 7.9151 8.68662 6.20232 12.8099 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 6.19304 9.79143 7.9151 7.4369 5.70116 10.4668 numMergedOcc 0
11 mol 73 unq 4 iso 0 dist 8.70481 6.43377 7.9151 5.5087 11.2069 4.25755 numMergedOcc 0
12 mol 73 unq 5 iso 0 dist 8.70481 6.43377 7.9151 6.08682 10.6713 6.08046 numMergedOcc 0
13 mol 73 unq 6 iso 0 dist 9.75218 9.33919 5.44172 9.73086 14.844 10.4668 numMergedOcc 0
14 mol 86 unq 0 iso 0 dist 9.5497 6.81209 7.71512 7.90423 6.98209 11.0058 numMergedOcc 0
15 mol 88 unq 0 iso 0 dist 9.36773 6.066 6.81076 7.80898 12.1193 6.29943 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 8.87449 4.5985 5.1283 9.90751 9.72773 10.3433 numMergedOcc 0
17 mol 100 unq 1 iso 0 dist 8.87449 4.5985 5.1283 9.21662 9.39125 8.59989 numMergedOcc 0
18 mol 117 unq 0 iso 0 dist 9.84395 8.2236 10.0324 6.10127 6.57678 3.96477 numMergedOcc 0
19 mol 117 unq 1 iso 0 dist 7.90328 8.2236 11.1062 6.10127 10.5783 3.96477 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 8.73993 6.69217 11.3981 7.64052 9.68677 10.9729 numMergedOcc 0
21 mol 119 unq 1 iso 0 dist 6.18601 9.70093 10.6133 8.95212 4.39676 10.9729 numMergedOcc 0
22 mol 132 unq 0 iso 0 dist 7.7059 7.19937 10.8443 6.89918 12.9631 3.92897 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 6.29155 4.51266 5.47259 8.77023 13.0405 13.2024 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 6.80239 4.51266 4.70102 8.77023 13.7612 13.2024 numMergedOcc 0
25 mol 133 unq 2 iso 0 dist 8.00618 4.51266 6.56917 8.77023 15.0115 13.2024 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 7.81386 8.47008 7.45927 6.64173 6.8757 7.11838 numMergedOcc 0
27 mol 181 unq 1 iso 0 dist 7.81386 8.47008 7.45927 9.01624 5.71898 8.25265 numMergedOcc 0
28 mol 181 unq 2 iso 0 dist 7.81386 8.47008 7.45927 9.55105 5.83796 5.42919 numMergedOcc 0
29 mol 181 unq 3 iso 0 dist 7.63312 8.47008 5.83639 6.64173 10.6474 7.11838 numMergedOcc 0
30 mol 181 unq 4 iso 0 dist 7.63312 8.47008 5.83639 9.01624 5.93724 8.25265 numMergedOcc 0
31 mol 181 unq 5 iso 0 dist 7.63312 8.47008 5.83639 9.55105 5.12833 5.42919 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 6.03031 6.52987 4.92241 6.52816 9.49403 11.2311 numMergedOcc 0
33 mol 205 unq 1 iso 0 dist 7.26832 6.52987 7.36565 6.52816 13.514 11.2311 numMergedOcc 0
34 mol 205 unq 2 iso 0 dist 7.80463 6.52987 10.9417 6.52816 3.56269 11.2311 numMergedOcc 0
35 mol 234 unq 0 iso 0 dist 9.45496 6.35438 8.83842 7.81215 12.4252 4.76962 numMergedOcc 0
36 mol 234 unq 1 iso 0 dist 6.7625 6.35438 5.43327 7.81215 5.75498 4.76962 numMergedOcc 0
37 mol 239 unq 0 iso 0 dist 6.16342 5.45139 4.86449 6.73665 10.6736 7.77371 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 7.88519 7.64122 10.1317 9.63573 7.20604 5.82108 numMergedOcc 0
39 mol 259 unq 1 iso 0 dist 7.88519 7.64122 10.1317 7.66153 8.8603 11.464 numMergedOcc 0
40 mol 259 unq 2 iso 0 dist 7.84554 7.64122 8.53114 9.63573 5.05362 5.82108 numMergedOcc 0
41 mol 259 unq 3 iso 0 dist 7.84554 7.64122 8.53114 7.66153 5.8801 11.464 numMergedOcc 0
42 mol 259 unq 4 iso 0 dist 7.46176 7.64122 4.63899 9.63573 5.21606 5.82108 numMergedOcc 0
43 mol 259 unq 5 iso 0 dist 7.46176 7.64122 4.63899 7.66153 11.8896 11.464 numMergedOcc 0
44 mol 259 unq 6 iso 0 dist 9.18903 7.64122 8.41812 9.63573 7.46841 5.82108 numMergedOcc 0
45 mol 259 unq 7 iso 0 dist 9.18903 7.64122 8.41812 7.66153 5.81576 11.464 numMergedOcc 0
46 mol 273 unq 0 iso 0 dist 9.01049 9.82018 11.528 9.59325 12.2939 4.04219 numMergedOcc 0
