0 mol 26 unq 0 iso 0 dist 9.90242 8.8533 7.29236 8.69142 10.1664 5.30297 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.07029 8.8533 6.29311 8.69142 10.5687 5.30297 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 5.71245 6.87744 5.19508 8.43523 4.03003 5.30297 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 9.12062 8.8717 14.7325 7.66913 10.8394 12.5406 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.35249 6.22124 9.90457 9.46449 9.2388 13.1663 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 9.073 5.94459 12.7728 8.44761 7.47006 13.7484 numMergedOcc 0
6 mol 68 unq 1 iso 0 dist 9.073 5.94459 12.7728 6.81124 4.02051 11.9362 numMergedOcc 0
7 mol 70 unq 0 iso 0 dist 9.2794 4.67358 10.1805 6.13606 4.12515 8.68801 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 7.32868 7.05954 6.3035 6.15011 11.8069 8.0763 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 9.00111 8.39026 3.95956 8.51206 9.80356 10.9279 numMergedOcc 0
10 mol 128 unq 0 iso 0 dist 5.32517 9.23513 5.69884 9.95168 7.03613 4.58658 numMergedOcc 0
11 mol 128 unq 1 iso 0 dist 7.6275 9.23513 6.06734 9.95168 9.16989 4.58658 numMergedOcc 0
12 mol 128 unq 2 iso 0 dist 7.4738 9.23513 9.5501 9.95168 10.9024 4.58658 numMergedOcc 0
13 mol 128 unq 3 iso 0 dist 8.88867 9.23513 13.9717 9.95168 16.8599 4.58658 numMergedOcc 0
14 mol 128 unq 4 iso 0 dist 7.04282 9.23513 10.1474 9.95168 13.3841 4.58658 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 6.26722 8.37793 9.32138 9.29665 5.21047 13.6359 numMergedOcc 0
16 mol 146 unq 0 iso 0 dist 6.98479 7.498 10.9118 9.64915 13.4704 7.20408 numMergedOcc 0
17 mol 146 unq 1 iso 0 dist 6.98479 7.498 10.9118 6.75663 3.98961 7.59769 numMergedOcc 0
18 mol 154 unq 0 iso 0 dist 9.71025 6.03116 11.9291 8.85675 10.3128 10.4731 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 6.22466 6.59729 7.41978 8.34668 5.18732 6.71237 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 6.22466 6.59729 7.41978 8.76308 12.1022 5.91678 numMergedOcc 0
21 mol 192 unq 0 iso 0 dist 6.88947 9.70308 9.60511 9.36089 7.02086 7.15463 numMergedOcc 0
22 mol 192 unq 1 iso 0 dist 6.88947 9.70308 9.60511 8.25221 14.0195 10.2652 numMergedOcc 0
23 mol 192 unq 2 iso 0 dist 6.88947 9.70308 9.60511 6.64416 11.153 6.6067 numMergedOcc 0
24 mol 195 unq 0 iso 0 dist 8.51112 8.22643 6.90444 5.0778 4.58275 6.74112 numMergedOcc 0
25 mol 209 unq 0 iso 0 dist 6.3344 9.95951 5.48319 9.17634 7.34675 12.4196 numMergedOcc 0
26 mol 209 unq 1 iso 0 dist 6.3344 6.43914 6.10304 9.17634 7.34675 12.5858 numMergedOcc 0
27 mol 226 unq 0 iso 0 dist 6.67272 6.06276 6.53326 9.37981 5.94294 10.1826 numMergedOcc 0
28 mol 226 unq 1 iso 0 dist 9.45332 6.06276 4.92768 9.37981 11.9903 10.1826 numMergedOcc 0
29 mol 240 unq 0 iso 0 dist 9.23116 5.46783 6.95406 4.98994 9.50907 8.23234 numMergedOcc 0
30 mol 240 unq 1 iso 0 dist 5.76042 5.46783 10.178 4.98994 5.30432 8.23234 numMergedOcc 0
31 mol 278 unq 0 iso 0 dist 8.79625 9.06043 16.2355 6.9592 4.74121 15.1214 numMergedOcc 0
32 mol 278 unq 1 iso 0 dist 9.9609 9.06043 5.89139 6.9592 14.9084 15.1214 numMergedOcc 0
33 mol 292 unq 0 iso 0 dist 9.05047 9.65173 7.79914 9.01292 10.9081 4.92408 numMergedOcc 0
34 mol 292 unq 1 iso 0 dist 7.24072 9.65173 4.49398 9.01292 7.31058 4.92408 numMergedOcc 0
