0 mol 8 unq 0 iso 0 dist 9.73496 8.82216 8.80278 15.7008 8.00482 9.69819 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 7.86299 6.03008 6.12043 11.7925 6.24549 9.88519 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 7.68446 9.23849 5.44478 6.05244 4.40652 7.4036 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.66616 5.1218 8.41008 14.5371 15.9786 9.67946 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 7.96502 8.43775 9.72716 13.4223 10.8154 7.25041 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 6.57452 6.39837 7.33546 4.95459 5.25902 5.58337 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 7.95136 9.17593 5.72494 11.2161 6.12629 9.61913 numMergedOcc 0
7 mol 103 unq 1 iso 0 dist 5.8915 9.17593 8.70106 11.2161 12.2951 9.61913 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 7.60412 5.26707 9.25371 4.76028 6.08127 9.51367 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 6.79014 9.85586 9.15982 15.0409 11.585 9.82907 numMergedOcc 0
10 mol 124 unq 0 iso 0 dist 8.55572 9.01736 6.31232 13.1207 5.34732 7.55095 numMergedOcc 0
11 mol 124 unq 1 iso 0 dist 9.67527 7.61966 6.79597 13.1939 8.85132 9.13301 numMergedOcc 0
12 mol 124 unq 2 iso 0 dist 9.67527 5.73937 7.17224 13.1939 8.85132 7.55095 numMergedOcc 0
13 mol 148 unq 0 iso 0 dist 6.4413 11.3382 6.72591 16.1933 9.82423 9.92375 numMergedOcc 0
14 mol 189 unq 0 iso 0 dist 6.77351 10.3814 8.81184 9.6509 6.41248 7.45329 numMergedOcc 0
15 mol 189 unq 1 iso 0 dist 8.4676 16.383 8.81184 12.2323 6.41248 7.45329 numMergedOcc 0
16 mol 189 unq 2 iso 0 dist 8.01521 10.5365 9.20296 15.6452 12.7664 7.45329 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 5.99718 4.55979 7.42784 9.36738 6.23427 7.88169 numMergedOcc 0
18 mol 220 unq 1 iso 0 dist 5.99718 6.35303 6.11123 9.36738 6.23427 9.46179 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 8.32703 12.1436 9.09371 9.14775 7.15779 5.87056 numMergedOcc 0
20 mol 227 unq 1 iso 0 dist 8.32703 12.1436 9.09371 19.6967 13.3228 9.84311 numMergedOcc 0
21 mol 227 unq 2 iso 0 dist 8.32703 12.1436 9.09371 12.4584 6.10844 8.85568 numMergedOcc 0
22 mol 227 unq 3 iso 0 dist 8.25412 14.3715 9.09371 13.5511 7.15779 5.87056 numMergedOcc 0
23 mol 227 unq 4 iso 0 dist 8.25412 14.3715 9.09371 20.9173 13.3228 9.84311 numMergedOcc 0
24 mol 227 unq 5 iso 0 dist 8.25412 14.3715 9.09371 9.45021 6.10844 8.85568 numMergedOcc 0
25 mol 247 unq 0 iso 0 dist 8.98313 13.245 6.56182 18.0238 12.7218 6.76933 numMergedOcc 0
26 mol 253 unq 0 iso 0 dist 7.76337 6.399 8.27377 14.3133 10.9823 8.70383 numMergedOcc 0
27 mol 260 unq 0 iso 0 dist 7.95918 9.01244 9.94532 10.7724 6.83989 6.8795 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 6.85288 5.00251 5.00402 11.1415 5.10287 9.36891 numMergedOcc 0
29 mol 279 unq 1 iso 0 dist 6.85288 5.00251 5.00402 5.02385 6.69582 7.37358 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 8.80626 9.56395 4.66252 17.8785 13.0167 9.52718 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 8.80626 9.56395 4.66252 17.8785 13.0167 9.52718 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 8.80626 9.56395 4.66252 17.8785 13.0167 9.52718 numMergedOcc 0
