0 mol 26 unq 0 iso 0 dist 7.10804 13.0095 9.97152 15.2306 8.36742 9.95805 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 7.10804 13.0095 9.97152 13.3615 8.10028 6.01782 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 7.10804 10.5865 9.03539 15.2306 8.36742 12.6238 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 7.10804 10.5865 9.03539 13.3615 8.10028 15.703 numMergedOcc 0
4 mol 26 unq 4 iso 0 dist 7.10804 11.4591 8.74037 15.2306 8.36742 9.50999 numMergedOcc 0
5 mol 26 unq 5 iso 0 dist 7.10804 11.4591 8.74037 13.3615 8.10028 8.95052 numMergedOcc 0
6 mol 26 unq 6 iso 0 dist 8.64424 9.23049 9.97152 8.82979 8.36742 9.95805 numMergedOcc 0
7 mol 26 unq 7 iso 0 dist 8.64424 9.23049 9.97152 3.63999 8.10028 6.01782 numMergedOcc 0
8 mol 26 unq 8 iso 0 dist 8.64424 17.2516 9.03539 8.82979 8.36742 12.6238 numMergedOcc 0
9 mol 26 unq 9 iso 0 dist 8.64424 17.2516 9.03539 3.63999 8.10028 15.703 numMergedOcc 0
10 mol 26 unq 10 iso 0 dist 8.64424 12.0994 8.74037 8.82979 8.36742 9.50999 numMergedOcc 0
11 mol 26 unq 11 iso 0 dist 8.64424 12.0994 8.74037 3.63999 8.10028 8.95052 numMergedOcc 0
12 mol 37 unq 0 iso 0 dist 7.47638 15.2001 9.98549 3.96491 8.5893 13.5002 numMergedOcc 0
13 mol 39 unq 0 iso 0 dist 7.95922 6.73466 7.54441 5.05915 8.82943 10.7038 numMergedOcc 0
14 mol 39 unq 1 iso 0 dist 7.95922 8.58221 9.84326 5.05915 8.82943 10.1717 numMergedOcc 0
15 mol 42 unq 0 iso 0 dist 9.0802 6.54671 8.75343 4.12203 9.09778 9.44962 numMergedOcc 0
16 mol 45 unq 0 iso 0 dist 6.1517 8.65083 7.61402 6.74214 7.55443 6.76899 numMergedOcc 0
17 mol 45 unq 1 iso 0 dist 6.1517 6.07757 8.11293 6.74214 7.55443 8.98411 numMergedOcc 0
18 mol 54 unq 0 iso 0 dist 4.22514 6.2425 8.41365 11.8083 9.63616 10.2702 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 5.50402 4.58314 8.10681 9.50148 9.50762 11.6359 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 5.50402 4.58314 8.10681 10.2696 7.57472 9.08526 numMergedOcc 0
21 mol 141 unq 2 iso 0 dist 5.50402 4.71444 4.69823 9.50148 9.50762 5.30105 numMergedOcc 0
22 mol 141 unq 3 iso 0 dist 5.50402 4.71444 4.69823 10.2696 7.57472 8.96466 numMergedOcc 0
23 mol 151 unq 0 iso 0 dist 8.70668 11.3404 7.48309 10.689 8.16646 4.26123 numMergedOcc 0
24 mol 153 unq 0 iso 0 dist 9.47241 4.82179 7.63379 4.634 6.18934 4.74158 numMergedOcc 0
25 mol 172 unq 0 iso 0 dist 9.40213 8.5759 8.52605 6.2666 7.3485 5.76093 numMergedOcc 0
26 mol 172 unq 1 iso 0 dist 8.75042 14.45 8.52605 11.7152 7.3485 5.76093 numMergedOcc 0
27 mol 184 unq 0 iso 0 dist 8.45309 9.12667 7.95111 10.5062 9.511 7.71503 numMergedOcc 0
28 mol 184 unq 1 iso 0 dist 8.45309 9.12667 7.95111 8.57356 7.72354 4.11581 numMergedOcc 0
29 mol 220 unq 0 iso 0 dist 7.10646 10.1962 8.45955 9.35225 5.04072 5.01453 numMergedOcc 0
30 mol 220 unq 1 iso 0 dist 7.10646 10.1962 8.45955 3.95521 8.67956 9.18551 numMergedOcc 0
31 mol 220 unq 2 iso 0 dist 7.10646 4.02873 7.64168 9.35225 5.04072 7.42545 numMergedOcc 0
32 mol 220 unq 3 iso 0 dist 7.10646 4.02873 7.64168 3.95521 8.67956 4.60128 numMergedOcc 0
33 mol 257 unq 0 iso 0 dist 8.5835 5.47761 7.48361 3.41163 8.81508 4.46167 numMergedOcc 0
34 mol 279 unq 0 iso 0 dist 5.15432 9.40437 8.46687 3.75969 5.76793 9.55749 numMergedOcc 0
35 mol 279 unq 1 iso 0 dist 5.15432 9.40437 8.46687 11.1754 7.72276 6.58695 numMergedOcc 0
36 mol 279 unq 2 iso 0 dist 8.2375 10.9253 8.46687 3.72823 5.76793 9.55749 numMergedOcc 0
37 mol 279 unq 3 iso 0 dist 8.2375 10.9253 8.46687 9.62805 7.72276 6.58695 numMergedOcc 0
38 mol 279 unq 4 iso 0 dist 9.23951 6.4164 8.46687 6.22298 5.76793 9.55749 numMergedOcc 0
39 mol 279 unq 5 iso 0 dist 9.23951 6.4164 8.46687 8.30922 7.72276 6.58695 numMergedOcc 0
40 mol 284 unq 0 iso 0 dist 9.91812 15.7226 8.6173 5.88619 6.61811 10.1727 numMergedOcc 0
