0 mol 24 unq 0 iso 0 dist 9.58012 4.90592 11.8996 4.21283 8.56274 7.85986 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.58012 8.16324 9.15493 4.21283 8.56274 11.0098 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 5.63315 7.40415 7.00226 5.51163 7.66985 10.8265 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 5.63315 7.40415 7.00226 6.37119 9.17482 5.19518 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 7.39754 8.29345 5.8102 13.7136 7.87729 10.0287 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 5.51624 7.62611 11.4196 5.99863 9.30843 11.2438 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 7.8674 7.62611 8.05783 5.99863 6.25522 11.2438 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 7.8674 7.62611 8.05783 6.15015 7.87145 12.0199 numMergedOcc 0
8 mol 93 unq 3 iso 0 dist 7.8674 7.62611 8.05783 10.9803 9.30914 14.9939 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 8.03035 8.8562 6.96805 10.7475 7.62197 14.3143 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 8.03035 7.91683 13.3975 10.7475 7.62197 16.435 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 7.76594 5.44303 5.67023 9.93041 4.48699 8.47526 numMergedOcc 0
12 mol 131 unq 1 iso 0 dist 7.76594 8.50562 10.9757 9.93041 4.48699 13.2907 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 5.73236 6.95372 5.99865 5.42311 7.22 7.2932 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 8.60521 5.06613 7.72754 13.909 9.48674 15.3909 numMergedOcc 0
15 mol 162 unq 0 iso 0 dist 8.53374 7.14263 3.76192 5.21512 5.97934 5.67088 numMergedOcc 0
16 mol 162 unq 1 iso 0 dist 8.53374 8.57005 11.41 5.21512 5.97934 12.4379 numMergedOcc 0
17 mol 163 unq 0 iso 0 dist 7.3546 9.79069 15.9955 6.08019 9.40912 11.694 numMergedOcc 0
18 mol 163 unq 1 iso 0 dist 7.3546 9.27496 5.87447 6.08019 9.40912 13.3846 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 8.12349 4.5271 6.16503 6.3786 9.12783 5.68985 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 8.12349 7.02575 9.6472 6.3786 9.12783 11.8931 numMergedOcc 0
21 mol 193 unq 0 iso 0 dist 6.22972 7.8141 7.58433 5.43768 7.06636 11.7052 numMergedOcc 0
22 mol 193 unq 1 iso 0 dist 6.22972 8.43187 5.56664 5.43768 7.06636 6.21262 numMergedOcc 0
23 mol 194 unq 0 iso 0 dist 5.52678 5.68348 8.43261 7.82899 5.13892 8.13022 numMergedOcc 0
24 mol 194 unq 1 iso 0 dist 5.52678 5.68348 8.43261 10.0237 5.78717 9.82667 numMergedOcc 0
25 mol 194 unq 2 iso 0 dist 9.81666 5.68348 13.8424 7.82899 8.2232 8.13022 numMergedOcc 0
26 mol 237 unq 0 iso 0 dist 7.63812 5.6703 5.90415 13.4452 8.96803 12.0818 numMergedOcc 0
27 mol 237 unq 1 iso 0 dist 7.63812 5.6703 5.90415 8.49326 7.95072 10.2985 numMergedOcc 0
28 mol 237 unq 2 iso 0 dist 7.63812 8.72819 9.2471 13.4452 8.96803 10.0241 numMergedOcc 0
29 mol 237 unq 3 iso 0 dist 7.63812 8.72819 9.2471 8.49326 7.95072 15.3628 numMergedOcc 0
30 mol 286 unq 0 iso 0 dist 5.91064 8.69826 7.09114 7.62289 7.43339 11.9842 numMergedOcc 0
