0 mol 26 unq 0 iso 0 dist 8.99751 4.01506 9.30674 3.30063 9.82851 6.79894 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 9.30674 4.01506 8.99751 6.79894 9.82851 3.30063 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.99751 8.29396 8.25567 3.30063 9.82851 10.8557 numMergedOcc 0
3 mol 26 unq 1 iso 1 dist 8.25567 8.29396 8.99751 10.8557 9.82851 3.30063 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 9.30674 4.96832 8.25567 6.79894 9.82851 10.8557 numMergedOcc 0
5 mol 26 unq 1 iso 1 dist 8.25567 4.96832 9.30674 10.8557 9.82851 6.79894 numMergedOcc 0
6 mol 55 unq 0 iso 0 dist 6.66861 5.41839 6.72084 6.77823 6.76315 8.80267 numMergedOcc 0
7 mol 55 unq 0 iso 1 dist 6.72084 5.41839 6.66861 8.80267 6.76315 6.77823 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 8.17655 5.45052 9.78129 8.65738 6.2576 7.3779 numMergedOcc 0
9 mol 79 unq 0 iso 1 dist 9.78129 5.45052 8.17655 7.3779 6.2576 8.65738 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 7.11127 8.58474 6.37888 3.94069 8.4219 6.87448 numMergedOcc 0
11 mol 92 unq 0 iso 1 dist 6.37888 8.58474 7.11127 6.87448 8.4219 3.94069 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 7.11127 12.8708 7.11438 3.94069 8.4219 12.6706 numMergedOcc 0
13 mol 92 unq 1 iso 1 dist 7.11438 12.8708 7.11127 12.6706 8.4219 3.94069 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 6.37888 6.46167 7.11438 6.87448 8.4219 12.6706 numMergedOcc 0
15 mol 92 unq 1 iso 1 dist 7.11438 6.46167 6.37888 12.6706 8.4219 6.87448 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 9.25249 4.66569 8.41411 4.48773 7.55367 3.78499 numMergedOcc 0
17 mol 98 unq 0 iso 1 dist 8.41411 4.66569 9.25249 3.78499 7.55367 4.48773 numMergedOcc 0
18 mol 113 unq 0 iso 0 dist 5.37302 8.68982 8.03783 3.77247 5.35711 7.4003 numMergedOcc 0
19 mol 113 unq 0 iso 1 dist 8.03783 8.68982 5.37302 7.4003 5.35711 3.77247 numMergedOcc 0
20 mol 113 unq 1 iso 0 dist 5.37302 8.68982 8.03783 7.1034 6.23759 3.74516 numMergedOcc 0
21 mol 113 unq 1 iso 1 dist 8.03783 8.68982 5.37302 3.74516 6.23759 7.1034 numMergedOcc 0
22 mol 113 unq 2 iso 0 dist 5.37302 11.0841 8.47541 3.77247 5.35711 7.80142 numMergedOcc 0
23 mol 113 unq 2 iso 1 dist 8.47541 11.0841 5.37302 7.80142 5.35711 3.77247 numMergedOcc 0
24 mol 113 unq 3 iso 0 dist 5.37302 11.0841 8.47541 7.1034 6.23759 9.72813 numMergedOcc 0
25 mol 113 unq 3 iso 1 dist 8.47541 11.0841 5.37302 9.72813 6.23759 7.1034 numMergedOcc 0
26 mol 113 unq 2 iso 0 dist 8.03783 7.68339 8.47541 7.4003 5.35711 7.80142 numMergedOcc 0
27 mol 113 unq 2 iso 1 dist 8.47541 7.68339 8.03783 7.80142 5.35711 7.4003 numMergedOcc 0
28 mol 113 unq 3 iso 0 dist 8.03783 7.68339 8.47541 3.74516 6.23759 9.72813 numMergedOcc 0
29 mol 113 unq 3 iso 1 dist 8.47541 7.68339 8.03783 9.72813 6.23759 3.74516 numMergedOcc 0
30 mol 141 unq 0 iso 0 dist 6.78469 9.03348 8.01453 10.5537 9.62774 5.51254 numMergedOcc 0
31 mol 141 unq 0 iso 1 dist 8.01453 9.03348 6.78469 5.51254 9.62774 10.5537 numMergedOcc 0
32 mol 169 unq 0 iso 0 dist 5.51388 8.58882 8.17917 3.89732 5.41121 7.68348 numMergedOcc 0
33 mol 169 unq 0 iso 1 dist 8.17917 8.58882 5.51388 7.68348 5.41121 3.89732 numMergedOcc 0
34 mol 169 unq 1 iso 0 dist 5.51388 8.58882 8.17917 7.16323 6.35799 3.69097 numMergedOcc 0
35 mol 169 unq 1 iso 1 dist 8.17917 8.58882 5.51388 3.69097 6.35799 7.16323 numMergedOcc 0
36 mol 169 unq 2 iso 0 dist 5.51388 11.0771 8.68909 3.89732 5.41121 7.61664 numMergedOcc 0
37 mol 169 unq 2 iso 1 dist 8.68909 11.0771 5.51388 7.61664 5.41121 3.89732 numMergedOcc 0
38 mol 169 unq 3 iso 0 dist 5.51388 11.0771 8.68909 7.16323 6.35799 10.1079 numMergedOcc 0
39 mol 169 unq 3 iso 1 dist 8.68909 11.0771 5.51388 10.1079 6.35799 7.16323 numMergedOcc 0
40 mol 169 unq 2 iso 0 dist 8.17917 8.19127 8.68909 7.68348 5.41121 7.61664 numMergedOcc 0
41 mol 169 unq 2 iso 1 dist 8.68909 8.19127 8.17917 7.61664 5.41121 7.68348 numMergedOcc 0
42 mol 169 unq 3 iso 0 dist 8.17917 8.19127 8.68909 3.69097 6.35799 10.1079 numMergedOcc 0
43 mol 169 unq 3 iso 1 dist 8.68909 8.19127 8.17917 10.1079 6.35799 3.69097 numMergedOcc 0
44 mol 181 unq 0 iso 0 dist 5.66363 4.09371 5.97968 3.55808 9.20617 6.33098 numMergedOcc 0
45 mol 181 unq 0 iso 1 dist 5.97968 4.09371 5.66363 6.33098 9.20617 3.55808 numMergedOcc 0
46 mol 181 unq 1 iso 0 dist 5.66363 10.0342 8.50382 3.55808 9.20617 12.4553 numMergedOcc 0
47 mol 181 unq 1 iso 1 dist 8.50382 10.0342 5.66363 12.4553 9.20617 3.55808 numMergedOcc 0
48 mol 181 unq 2 iso 0 dist 5.66363 7.37799 8.63119 3.55808 9.20617 8.9845 numMergedOcc 0
49 mol 181 unq 2 iso 1 dist 8.63119 7.37799 5.66363 8.9845 9.20617 3.55808 numMergedOcc 0
50 mol 181 unq 1 iso 0 dist 5.97968 6.3591 8.50382 6.33098 9.20617 12.4553 numMergedOcc 0
51 mol 181 unq 1 iso 1 dist 8.50382 6.3591 5.97968 12.4553 9.20617 6.33098 numMergedOcc 0
52 mol 181 unq 2 iso 0 dist 5.97968 5.54834 8.63119 6.33098 9.20617 8.9845 numMergedOcc 0
53 mol 181 unq 2 iso 1 dist 8.63119 5.54834 5.97968 8.9845 9.20617 6.33098 numMergedOcc 0
54 mol 181 unq 2 iso 0 dist 8.50382 9.33658 8.63119 12.4553 9.20617 8.9845 numMergedOcc 0
55 mol 181 unq 2 iso 1 dist 8.63119 9.33658 8.50382 8.9845 9.20617 12.4553 numMergedOcc 0
56 mol 205 unq 0 iso 0 dist 5.86419 5.80929 7.23557 3.83801 7.75318 9.4797 numMergedOcc 0
57 mol 205 unq 0 iso 1 dist 7.23557 5.80929 5.86419 9.4797 7.75318 3.83801 numMergedOcc 0
58 mol 205 unq 1 iso 0 dist 5.86419 9.66755 8.86587 3.83801 7.75318 13.314 numMergedOcc 0
59 mol 205 unq 1 iso 1 dist 8.86587 9.66755 5.86419 13.314 7.75318 3.83801 numMergedOcc 0
60 mol 205 unq 1 iso 0 dist 7.23557 4.20051 8.86587 9.4797 7.75318 13.314 numMergedOcc 0
61 mol 205 unq 1 iso 1 dist 8.86587 4.20051 7.23557 13.314 7.75318 9.4797 numMergedOcc 0
62 mol 244 unq 0 iso 0 dist 8.08939 6.37954 7.33574 15.1141 9.30179 12.1511 numMergedOcc 0
63 mol 244 unq 0 iso 1 dist 7.33574 6.37954 8.08939 12.1511 9.30179 15.1141 numMergedOcc 0
64 mol 244 unq 1 iso 0 dist 8.08939 6.37954 7.33574 3.62882 6.10489 5.2503 numMergedOcc 0
65 mol 244 unq 1 iso 1 dist 7.33574 6.37954 8.08939 5.2503 6.10489 3.62882 numMergedOcc 0
66 mol 244 unq 2 iso 0 dist 8.08939 6.37954 7.33574 7.8506 4.4204 3.66626 numMergedOcc 0
67 mol 244 unq 2 iso 1 dist 7.33574 6.37954 8.08939 3.66626 4.4204 7.8506 numMergedOcc 0
