0 mol 17 unq 0 iso 0 dist 6.25587 9.00893 3.62282 4.67638 7.25951 10.0182 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 6.25587 9.00893 3.62282 10.6511 7.92012 9.02577 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 7.90324 8.63439 5.54542 9.70974 6.93197 12.0617 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 7.98414 8.35776 10.8132 10.6064 8.5315 16.3797 numMergedOcc 0
4 mol 53 unq 0 iso 0 dist 6.81867 7.03969 5.80365 9.52412 8.94227 13.8663 numMergedOcc 0
5 mol 65 unq 0 iso 0 dist 8.70783 9.42411 13.2346 5.43428 5.94206 12.688 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 7.54919 6.29801 5.88927 11.0544 6.78004 9.68293 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 9.12912 8.39378 5.88927 9.66523 6.78004 9.68293 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 8.6701 8.345 12.3169 7.57027 8.74378 14.8205 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 8.6701 6.06155 9.11323 7.57027 8.74378 12.3732 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 6.85457 8.345 11.9244 7.57027 8.89417 14.8205 numMergedOcc 0
11 mol 93 unq 3 iso 0 dist 6.85457 8.345 11.9244 13.1982 9.95255 20.8305 numMergedOcc 0
12 mol 93 unq 4 iso 0 dist 6.85457 6.06155 8.52329 7.57027 8.89417 12.3732 numMergedOcc 0
13 mol 93 unq 5 iso 0 dist 6.85457 6.06155 8.52329 13.1982 9.95255 17.663 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 9.66226 5.61418 13.4478 7.65932 7.36769 11.5938 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 5.7085 6.38269 6.29259 5.03181 6.6317 10.6717 numMergedOcc 0
16 mol 113 unq 1 iso 0 dist 5.7085 7.11196 7.08122 5.03181 6.6317 11.3323 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 7.27601 8.18356 3.67473 4.95654 8.42878 10.9536 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 9.06613 9.93616 14.3062 4.58889 9.7361 14.3139 numMergedOcc 0
19 mol 171 unq 0 iso 0 dist 8.53734 6.80203 8.77204 13.6177 5.25109 13.0135 numMergedOcc 0
20 mol 171 unq 1 iso 0 dist 8.53734 6.80203 8.77204 16.0184 8.21618 16.5597 numMergedOcc 0
21 mol 171 unq 2 iso 0 dist 6.08141 8.00826 8.77204 9.13275 5.25109 13.0135 numMergedOcc 0
22 mol 171 unq 3 iso 0 dist 6.08141 8.00826 8.77204 11.3808 8.21618 16.5597 numMergedOcc 0
23 mol 193 unq 0 iso 0 dist 9.58736 9.28442 6.18551 7.09749 9.40801 11.7052 numMergedOcc 0
24 mol 194 unq 0 iso 0 dist 7.27978 9.3032 3.7326 11.9617 6.1886 8.13022 numMergedOcc 0
25 mol 260 unq 0 iso 0 dist 7.23618 7.13397 4.07425 5.72956 9.32954 6.49413 numMergedOcc 0
26 mol 260 unq 1 iso 0 dist 7.23618 5.33278 9.36278 5.72956 9.32954 4.52405 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 6.99089 7.51951 4.72338 4.82331 7.00243 7.63543 numMergedOcc 0
28 mol 284 unq 0 iso 0 dist 9.95662 5.06373 9.94624 6.4111 7.34931 7.74874 numMergedOcc 0
