0 mol 10 unq 0 iso 0 dist 6.74091 4.89243 5.06897 8.12738 8.44792 4.71687 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 6.74091 4.89243 5.06897 4.06691 4.94198 3.77616 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 6.74091 4.89243 5.06897 10.1984 9.62353 12.0784 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 5.29367 3.69603 7.53604 4.88554 8.97566 5.82859 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 5.29367 3.69603 7.53604 8.73565 8.81085 6.99896 numMergedOcc 0
5 mol 26 unq 2 iso 0 dist 5.29367 8.35279 8.85591 4.88554 8.97566 6.70872 numMergedOcc 0
6 mol 26 unq 3 iso 0 dist 5.29367 8.35279 8.85591 8.73565 8.81085 5.47056 numMergedOcc 0
7 mol 26 unq 4 iso 0 dist 5.29367 9.19323 9.67576 4.88554 8.97566 11.2447 numMergedOcc 0
8 mol 26 unq 5 iso 0 dist 5.29367 9.19323 9.67576 8.73565 8.81085 4.63716 numMergedOcc 0
9 mol 26 unq 6 iso 0 dist 8.07937 3.69603 9.70778 13.3615 7.89667 12.7914 numMergedOcc 0
10 mol 26 unq 7 iso 0 dist 6.42206 13.9878 9.70778 3.63999 7.89667 12.7914 numMergedOcc 0
11 mol 26 unq 8 iso 0 dist 9.66602 19.215 9.70778 13.5789 7.89667 12.7914 numMergedOcc 0
12 mol 63 unq 0 iso 0 dist 8.64534 6.22487 9.43893 7.57912 9.00612 8.58694 numMergedOcc 0
13 mol 78 unq 0 iso 0 dist 8.61468 10.4399 6.54185 13.4907 8.48827 9.21018 numMergedOcc 0
14 mol 78 unq 1 iso 0 dist 8.61468 10.4399 6.54185 10.4533 7.14048 7.74516 numMergedOcc 0
15 mol 78 unq 2 iso 0 dist 8.61468 14.263 9.68502 13.4907 8.48827 14.6646 numMergedOcc 0
16 mol 78 unq 3 iso 0 dist 8.61468 14.263 9.68502 10.4533 7.14048 13.7979 numMergedOcc 0
17 mol 79 unq 0 iso 0 dist 9.04935 10.6431 5.69384 8.47393 7.06029 5.47798 numMergedOcc 0
18 mol 86 unq 0 iso 0 dist 8.50853 5.84773 8.71941 4.35553 7.71442 6.60465 numMergedOcc 0
19 mol 93 unq 0 iso 0 dist 8.52947 11.8293 8.42713 10.8428 5.10693 12.5638 numMergedOcc 0
20 mol 93 unq 1 iso 0 dist 8.52947 11.8293 8.42713 12.1443 6.58814 12.4215 numMergedOcc 0
21 mol 93 unq 2 iso 0 dist 8.52947 11.8293 8.42713 6.46649 6.13459 5.99863 numMergedOcc 0
22 mol 93 unq 3 iso 0 dist 8.52947 11.8293 8.42713 7.18673 7.54391 6.15015 numMergedOcc 0
23 mol 93 unq 4 iso 0 dist 8.84466 3.74136 8.42713 13.6305 5.10693 12.5638 numMergedOcc 0
24 mol 93 unq 5 iso 0 dist 8.84466 3.74136 8.42713 14.1431 6.58814 12.4215 numMergedOcc 0
25 mol 93 unq 6 iso 0 dist 8.84466 3.74136 8.42713 3.99275 6.13459 5.99863 numMergedOcc 0
26 mol 93 unq 7 iso 0 dist 8.84466 3.74136 8.42713 6.46195 7.54391 6.15015 numMergedOcc 0
27 mol 113 unq 0 iso 0 dist 8.28452 5.93237 6.20553 3.7042 7.08403 6.39863 numMergedOcc 0
28 mol 113 unq 1 iso 0 dist 8.44004 7.14947 6.20553 12.5507 7.08403 6.39863 numMergedOcc 0
29 mol 128 unq 0 iso 0 dist 8.98367 10.8853 6.17362 10.337 5.38983 4.21194 numMergedOcc 0
30 mol 128 unq 1 iso 0 dist 9.35162 11.0542 6.4416 13.5215 8.46801 4.21194 numMergedOcc 0
31 mol 128 unq 2 iso 0 dist 9.35162 5.34549 7.49024 13.5215 8.46801 9.46982 numMergedOcc 0
32 mol 169 unq 0 iso 0 dist 8.56204 5.78448 6.29631 3.86496 7.33643 6.28641 numMergedOcc 0
33 mol 247 unq 0 iso 0 dist 8.72346 10.8475 6.81743 9.41036 4.78189 11.5516 numMergedOcc 0
34 mol 247 unq 1 iso 0 dist 7.39069 6.88702 6.81743 11.1225 4.78189 11.5516 numMergedOcc 0
35 mol 268 unq 0 iso 0 dist 9.7384 7.47414 5.60058 7.09622 6.18877 5.68496 numMergedOcc 0
36 mol 270 unq 0 iso 0 dist 6.55866 10.3057 8.05859 5.81979 7.97614 12.1343 numMergedOcc 0
37 mol 279 unq 0 iso 0 dist 5.49794 4.81143 5.63154 3.83238 5.96259 7.93548 numMergedOcc 0
