0 mol 18 unq 0 iso 0 dist 7.63261 7.23594 6.47139 5.16057 12.619 10.8911 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 4.97954 8.59022 7.81854 7.89468 4.1456 7.07345 numMergedOcc 0
2 mol 44 unq 1 iso 0 dist 4.97954 8.59022 7.81854 8.13585 9.41957 7.57101 numMergedOcc 0
3 mol 44 unq 2 iso 0 dist 4.97954 8.59022 7.81854 8.44721 12.9963 11.6099 numMergedOcc 0
4 mol 44 unq 3 iso 0 dist 9.20117 8.59022 8.99329 7.89468 6.87676 7.07345 numMergedOcc 0
5 mol 44 unq 4 iso 0 dist 9.20117 8.59022 8.99329 8.13585 9.51064 7.57101 numMergedOcc 0
6 mol 44 unq 5 iso 0 dist 9.20117 8.59022 8.99329 8.44721 16.3522 11.6099 numMergedOcc 0
7 mol 44 unq 6 iso 0 dist 8.72535 8.59022 8.90976 7.89468 9.60138 7.07345 numMergedOcc 0
8 mol 44 unq 7 iso 0 dist 8.72535 8.59022 8.90976 8.13585 6.15821 7.57101 numMergedOcc 0
9 mol 44 unq 8 iso 0 dist 8.72535 8.59022 8.90976 8.44721 14.3437 11.6099 numMergedOcc 0
10 mol 59 unq 0 iso 0 dist 6.17977 7.67586 5.34079 7.89524 4.16267 6.34565 numMergedOcc 0
11 mol 78 unq 0 iso 0 dist 7.50417 7.80757 4.4651 6.88471 8.84528 5.40759 numMergedOcc 0
12 mol 78 unq 1 iso 0 dist 7.50417 5.5849 9.31889 6.88471 8.84528 5.08718 numMergedOcc 0
13 mol 78 unq 2 iso 0 dist 6.75455 5.02591 7.17843 7.74797 12.0321 5.40759 numMergedOcc 0
14 mol 78 unq 3 iso 0 dist 6.28063 5.02591 4.4651 7.74797 8.84528 5.40759 numMergedOcc 0
15 mol 81 unq 0 iso 0 dist 9.1024 8.93196 14.5768 5.9013 8.74391 9.48999 numMergedOcc 0
16 mol 114 unq 0 iso 0 dist 6.34761 5.87387 5.74067 9.0904 6.73633 9.48108 numMergedOcc 0
17 mol 114 unq 1 iso 0 dist 6.34761 6.06543 4.1386 9.0904 6.73633 3.9247 numMergedOcc 0
18 mol 123 unq 0 iso 0 dist 8.64091 8.87148 4.07494 9.43033 9.94164 9.43434 numMergedOcc 0
19 mol 136 unq 0 iso 0 dist 6.27434 6.53519 6.38418 8.17454 9.85349 5.63037 numMergedOcc 0
20 mol 136 unq 1 iso 0 dist 6.27434 6.53519 6.38418 9.2549 10.4534 4.14443 numMergedOcc 0
21 mol 148 unq 0 iso 0 dist 8.6499 9.7168 12.8573 9.62458 3.78181 11.3247 numMergedOcc 0
22 mol 148 unq 1 iso 0 dist 8.6499 7.38138 8.61198 9.62458 3.78181 9.61708 numMergedOcc 0
23 mol 150 unq 0 iso 0 dist 8.75339 9.61132 12.8265 9.64273 3.72958 11.3177 numMergedOcc 0
24 mol 150 unq 1 iso 0 dist 8.75339 7.34423 8.68422 9.64273 3.72958 9.72618 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 6.79839 7.96424 8.20031 8.16081 13.1183 14.1217 numMergedOcc 0
26 mol 220 unq 1 iso 0 dist 6.79839 5.40366 4.56064 8.16081 13.1183 9.83649 numMergedOcc 0
27 mol 220 unq 2 iso 0 dist 6.79839 8.93637 8.0303 8.16081 13.1183 9.03133 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 7.49227 9.93154 8.65229 9.92621 7.08451 10.2987 numMergedOcc 0
29 mol 227 unq 1 iso 0 dist 7.49227 9.18218 13.0161 9.92621 7.08451 14.5919 numMergedOcc 0
30 mol 227 unq 2 iso 0 dist 7.49227 6.18486 11.8065 9.92621 7.08451 14.3995 numMergedOcc 0
31 mol 252 unq 0 iso 0 dist 6.68688 6.7283 11.6171 8.69831 4.28835 13.4436 numMergedOcc 0
32 mol 252 unq 1 iso 0 dist 9.17576 6.7283 5.90619 8.69831 14.5427 13.4436 numMergedOcc 0
33 mol 272 unq 0 iso 0 dist 5.19015 7.22438 8.31324 5.15197 3.62419 6.38267 numMergedOcc 0
34 mol 272 unq 1 iso 0 dist 5.19015 7.66615 9.38679 5.15197 3.62419 5.99934 numMergedOcc 0
35 mol 283 unq 0 iso 0 dist 5.33054 7.92491 4.44211 5.34771 3.27256 6.79513 numMergedOcc 0
36 mol 283 unq 1 iso 0 dist 5.33054 7.92491 4.44211 9.2825 10.2725 11.9095 numMergedOcc 0
