0 mol 24 unq 0 iso 0 dist 8.10063 8.12171 10.5906 6.09311 8.11143 11.4816 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.10063 8.12171 10.5906 6.50899 8.9776 14.2253 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 7.35217 9.27179 5.54243 7.17002 7.89643 11.5061 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 8.17492 7.77386 7.8821 6.63195 6.89855 11.219 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 6.27877 5.99046 5.25569 3.81285 7.51319 9.07499 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 6.27877 5.99046 5.25569 6.17121 8.49887 10.671 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 8.01351 4.86532 12.671 9.46631 8.91998 13.4457 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 6.67776 7.24843 6.79091 3.27874 5.23929 5.56839 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 6.67776 7.63783 8.71469 3.27874 5.23929 7.83506 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 8.89564 8.9967 10.0563 5.906 7.75833 11.3702 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 8.13344 9.68996 17.5356 4.88335 6.67937 12.2197 numMergedOcc 0
11 mol 136 unq 0 iso 0 dist 5.00698 4.91837 4.94273 11.5769 9.71312 12.7867 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 8.6903 8.94488 7.46548 5.94889 9.27714 4.6512 numMergedOcc 0
13 mol 167 unq 0 iso 0 dist 7.04009 9.83216 7.33075 3.85621 8.43955 10.1387 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 8.11014 9.13228 8.78943 8.24104 8.5544 14.2301 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 8.43359 7.57117 8.7874 9.77872 5.5223 12.357 numMergedOcc 0
16 mol 192 unq 1 iso 0 dist 8.43359 7.57117 8.7874 8.01902 8.00501 10.7842 numMergedOcc 0
17 mol 192 unq 2 iso 0 dist 8.43359 9.9312 7.84006 9.77872 5.5223 10.9473 numMergedOcc 0
18 mol 192 unq 3 iso 0 dist 8.43359 9.9312 7.84006 8.01902 8.00501 9.82753 numMergedOcc 0
19 mol 193 unq 0 iso 0 dist 8.30095 6.77983 11.8686 5.57164 9.13587 9.9042 numMergedOcc 0
20 mol 193 unq 1 iso 0 dist 8.30095 7.06538 5.88692 5.57164 9.13587 6.21262 numMergedOcc 0
21 mol 195 unq 0 iso 0 dist 8.5734 9.3437 8.18632 3.62589 9.16422 10.2677 numMergedOcc 0
22 mol 249 unq 0 iso 0 dist 9.19506 6.7282 11.2425 3.89698 6.62413 8.76518 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 9.70632 5.62193 11.7682 10.9606 9.32456 15.663 numMergedOcc 0
