0 mol 10 unq 0 iso 0 dist 9.09758 10.1382 5.40169 3.97711 9.43029 11.4402 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.12171 7.70921 6.2004 4.09817 9.85784 7.19293 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.12171 7.70921 6.2004 7.1305 9.87996 5.56258 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.01238 16.9951 9.5053 5.43726 6.7142 13.4114 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 9.2958 8.88157 9.75201 10.4541 7.46095 6.48293 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 9.45854 5.06651 8.29345 5.75544 8.93769 8.08435 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 6.41084 14.9542 9.78667 10.6312 7.42144 12.6553 numMergedOcc 0
7 mol 141 unq 1 iso 0 dist 6.41084 14.9542 9.78667 9.58584 6.27658 13.5035 numMergedOcc 0
8 mol 141 unq 2 iso 0 dist 6.41084 12.4212 8.47026 10.6312 7.42144 10.1588 numMergedOcc 0
9 mol 141 unq 3 iso 0 dist 6.41084 12.4212 8.47026 9.58584 6.27658 11.7454 numMergedOcc 0
10 mol 141 unq 4 iso 0 dist 6.93424 5.44816 6.73983 16.16 9.27009 14.228 numMergedOcc 0
11 mol 141 unq 5 iso 0 dist 6.93424 9.06521 8.6387 16.16 9.27009 14.0232 numMergedOcc 0
12 mol 141 unq 6 iso 0 dist 6.8891 5.44816 7.64956 7.18009 6.65731 8.48213 numMergedOcc 0
13 mol 194 unq 0 iso 0 dist 7.71806 5.5201 6.37788 8.22995 4.19371 5.28603 numMergedOcc 0
14 mol 194 unq 1 iso 0 dist 7.71806 5.5201 6.37788 12.3429 9.71015 10.7058 numMergedOcc 0
15 mol 194 unq 2 iso 0 dist 7.71806 6.55595 8.7028 8.22995 4.19371 11.0713 numMergedOcc 0
16 mol 194 unq 3 iso 0 dist 7.71806 6.55595 8.7028 12.3429 9.71015 16.9177 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 9.639 7.32929 5.91727 13.3588 9.48625 9.54203 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 8.00354 9.53753 8.20162 7.80528 7.7086 11.6976 numMergedOcc 0
19 mol 252 unq 0 iso 0 dist 8.35637 9.34602 7.39391 12.3685 8.09509 4.34126 numMergedOcc 0
20 mol 256 unq 0 iso 0 dist 5.2801 9.44168 8.89892 7.84178 6.85663 7.20313 numMergedOcc 0
21 mol 260 unq 0 iso 0 dist 8.75324 10.2178 7.99521 3.92288 6.75725 11.362 numMergedOcc 0
22 mol 260 unq 1 iso 0 dist 8.75324 10.2178 7.99521 14.1341 9.31888 5.38958 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 5.62193 5.81384 9.53943 6.11441 9.63518 5.67713 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 9.7625 7.05559 7.85414 15.23 9.26157 14.6871 numMergedOcc 0
