0 mol 5 unq 0 iso 0 dist 7.77059 3.99762 6.86923 11.7909 5.69239 10.7591 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.77059 8.40431 9.95226 11.7909 5.69239 10.9809 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 7.77059 8.19993 4.60775 11.7909 5.69239 3.91535 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 7.77059 12.2871 8.64744 11.7909 5.69239 6.94674 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 7.4332 10.3223 9.22067 8.41594 9.70883 6.62108 numMergedOcc 0
5 mol 5 unq 5 iso 0 dist 7.4332 10.3223 9.22067 11.6739 9.65565 12.0343 numMergedOcc 0
6 mol 5 unq 6 iso 0 dist 7.4332 7.05332 8.49537 8.41594 9.70883 14.7887 numMergedOcc 0
7 mol 5 unq 7 iso 0 dist 7.4332 7.05332 8.49537 11.6739 9.65565 8.65468 numMergedOcc 0
8 mol 11 unq 0 iso 0 dist 9.74528 9.67038 5.47299 15.0022 6.83186 7.27588 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 5.65754 6.08168 7.61183 10.0962 8.25818 14.3151 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 7.75543 10.1574 6.64921 6.51961 4.15789 4.15002 numMergedOcc 0
11 mol 79 unq 1 iso 0 dist 7.75543 10.1574 6.64921 4.08459 4.808 9.36535 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 8.66427 15.4494 8.60062 5.26904 7.07839 11.1042 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 8.66427 15.4494 8.60062 11.9441 9.09711 7.55572 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 8.66427 15.4494 8.60062 6.77316 7.91193 10.9585 numMergedOcc 0
15 mol 85 unq 3 iso 0 dist 8.66427 15.4494 8.60062 13.8217 7.04244 4.8069 numMergedOcc 0
16 mol 85 unq 4 iso 0 dist 8.66427 15.4494 8.60062 9.54731 9.63449 18.1303 numMergedOcc 0
17 mol 85 unq 5 iso 0 dist 8.66427 11.5575 5.16225 5.26904 7.07839 10.0529 numMergedOcc 0
18 mol 85 unq 6 iso 0 dist 8.66427 11.5575 5.16225 11.9441 9.09711 8.41797 numMergedOcc 0
19 mol 85 unq 7 iso 0 dist 8.66427 11.5575 5.16225 6.77316 7.91193 9.0874 numMergedOcc 0
20 mol 85 unq 8 iso 0 dist 8.66427 11.5575 5.16225 13.8217 7.04244 10.0178 numMergedOcc 0
21 mol 85 unq 9 iso 0 dist 8.66427 11.5575 5.16225 9.54731 9.63449 12.1664 numMergedOcc 0
22 mol 85 unq 10 iso 0 dist 7.51319 4.74629 8.67342 6.90443 6.67137 4.8069 numMergedOcc 0
23 mol 85 unq 11 iso 0 dist 7.51319 4.74629 8.67342 17.0873 9.78707 18.1303 numMergedOcc 0
24 mol 85 unq 12 iso 0 dist 7.51319 7.39588 5.73739 6.90443 6.67137 10.0178 numMergedOcc 0
25 mol 85 unq 13 iso 0 dist 7.51319 7.39588 5.73739 17.0873 9.78707 12.1664 numMergedOcc 0
26 mol 85 unq 14 iso 0 dist 8.49887 4.74629 8.60062 13.5026 7.07839 11.1042 numMergedOcc 0
27 mol 85 unq 15 iso 0 dist 8.49887 4.74629 8.60062 13.1772 7.91193 10.9585 numMergedOcc 0
28 mol 85 unq 16 iso 0 dist 8.49887 4.74629 8.60062 10.1386 9.09711 7.55572 numMergedOcc 0
29 mol 85 unq 17 iso 0 dist 8.49887 4.74629 8.60062 6.90443 7.04244 4.8069 numMergedOcc 0
30 mol 85 unq 18 iso 0 dist 8.49887 4.74629 8.60062 17.0873 9.63449 18.1303 numMergedOcc 0
31 mol 85 unq 19 iso 0 dist 8.49887 7.39588 5.16225 13.5026 7.07839 10.0529 numMergedOcc 0
32 mol 85 unq 20 iso 0 dist 8.49887 7.39588 5.16225 13.1772 7.91193 9.0874 numMergedOcc 0
33 mol 85 unq 21 iso 0 dist 8.49887 7.39588 5.16225 10.1386 9.09711 8.41797 numMergedOcc 0
34 mol 85 unq 22 iso 0 dist 8.49887 7.39588 5.16225 6.90443 7.04244 10.0178 numMergedOcc 0
35 mol 85 unq 23 iso 0 dist 8.49887 7.39588 5.16225 17.0873 9.63449 12.1664 numMergedOcc 0
36 mol 85 unq 24 iso 0 dist 9.43839 17.9238 8.67342 14.6513 6.67137 4.8069 numMergedOcc 0
37 mol 85 unq 25 iso 0 dist 9.43839 17.9238 8.67342 4.43737 9.78707 18.1303 numMergedOcc 0
38 mol 85 unq 26 iso 0 dist 9.43839 13.3413 5.73739 14.6513 6.67137 10.0178 numMergedOcc 0
39 mol 85 unq 27 iso 0 dist 9.43839 13.3413 5.73739 4.43737 9.78707 12.1664 numMergedOcc 0
40 mol 225 unq 0 iso 0 dist 7.78392 4.37243 6.35772 13.4414 9.54529 11.0751 numMergedOcc 0
41 mol 254 unq 0 iso 0 dist 9.84028 14.4681 9.83135 11.4342 7.85841 9.22906 numMergedOcc 0
42 mol 254 unq 1 iso 0 dist 9.84028 14.4681 9.83135 11.2466 9.20109 12.319 numMergedOcc 0
43 mol 260 unq 0 iso 0 dist 6.90472 11.0725 4.76164 11.9315 8.62655 9.45061 numMergedOcc 0
44 mol 266 unq 0 iso 0 dist 6.48382 10.1474 7.74133 5.79323 6.96692 13.3554 numMergedOcc 0
45 mol 266 unq 1 iso 0 dist 6.48382 10.1474 7.74133 7.52317 8.25286 15.2892 numMergedOcc 0
46 mol 266 unq 2 iso 0 dist 6.48382 10.1474 7.74133 9.52953 9.9965 16.6916 numMergedOcc 0
47 mol 266 unq 3 iso 0 dist 7.36137 6.69637 6.39822 12.2408 7.8598 10.1418 numMergedOcc 0
48 mol 266 unq 4 iso 0 dist 7.36137 6.69637 6.39822 13.1028 8.25286 7.63149 numMergedOcc 0
49 mol 266 unq 5 iso 0 dist 7.36137 11.9449 8.61077 12.2408 7.8598 10.3155 numMergedOcc 0
50 mol 266 unq 6 iso 0 dist 7.36137 11.9449 8.61077 13.1028 8.25286 4.39553 numMergedOcc 0
51 mol 266 unq 7 iso 0 dist 6.83784 5.60874 6.39822 5.34431 7.8598 10.1418 numMergedOcc 0
52 mol 266 unq 8 iso 0 dist 6.83784 5.60874 6.39822 8.39575 8.25286 7.63149 numMergedOcc 0
53 mol 266 unq 9 iso 0 dist 6.83784 5.50447 8.61077 5.34431 7.8598 10.3155 numMergedOcc 0
54 mol 266 unq 10 iso 0 dist 6.83784 5.50447 8.61077 8.39575 8.25286 4.39553 numMergedOcc 0
55 mol 266 unq 11 iso 0 dist 4.95415 6.69637 5.36518 12.2408 7.80711 10.1418 numMergedOcc 0
56 mol 266 unq 12 iso 0 dist 4.95415 6.69637 5.36518 13.1028 9.9965 7.63149 numMergedOcc 0
57 mol 266 unq 13 iso 0 dist 4.95415 11.9449 9.11585 12.2408 7.80711 10.3155 numMergedOcc 0
58 mol 266 unq 14 iso 0 dist 4.95415 11.9449 9.11585 13.1028 9.9965 4.39553 numMergedOcc 0
59 mol 266 unq 15 iso 0 dist 6.38519 5.60874 5.36518 5.34431 7.80711 10.1418 numMergedOcc 0
60 mol 266 unq 16 iso 0 dist 6.38519 5.60874 5.36518 8.39575 9.9965 7.63149 numMergedOcc 0
61 mol 266 unq 17 iso 0 dist 6.38519 5.50447 9.11585 5.34431 7.80711 10.3155 numMergedOcc 0
62 mol 266 unq 18 iso 0 dist 6.38519 5.50447 9.11585 8.39575 9.9965 4.39553 numMergedOcc 0
63 mol 287 unq 0 iso 0 dist 8.17436 4.06566 5.55176 9.08224 4.68668 5.13698 numMergedOcc 0
64 mol 288 unq 0 iso 0 dist 8.17436 4.06566 5.55176 9.08224 4.68668 5.13698 numMergedOcc 0
65 mol 289 unq 0 iso 0 dist 8.17436 4.06566 5.55176 9.08224 4.68668 5.13698 numMergedOcc 0
