0 mol 11 unq 0 iso 0 dist 9.76233 13.4378 9.81983 11.8533 6.83186 6.51674 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 6.31487 6.32707 8.69709 6.82151 7.08766 10.8722 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 7.423 11.4741 8.69709 4.3475 7.08766 10.8722 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 7.32472 7.57532 7.37118 4.61111 4.75881 8.00615 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 8.13664 5.73092 5.53419 8.59614 3.77542 3.57198 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 9.80453 6.0363 9.42099 8.42234 9.05737 3.85506 numMergedOcc 0
6 mol 53 unq 0 iso 0 dist 9.92412 6.89052 8.19958 6.46305 8.88512 5.80365 numMergedOcc 0
7 mol 83 unq 0 iso 0 dist 9.75749 15.6669 8.99451 8.85486 7.50925 8.98065 numMergedOcc 0
8 mol 83 unq 1 iso 0 dist 9.75749 15.6669 8.99451 5.2891 6.96722 13.9971 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 7.61514 15.3449 9.13593 10.8634 6.67137 13.6534 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 7.61514 15.3449 9.13593 15.0522 9.78707 3.93938 numMergedOcc 0
11 mol 85 unq 2 iso 0 dist 8.21116 15.3449 8.25144 13.6965 7.07839 9.66391 numMergedOcc 0
12 mol 85 unq 3 iso 0 dist 8.21116 15.3449 8.25144 10.513 9.09711 15.6454 numMergedOcc 0
13 mol 85 unq 4 iso 0 dist 8.21116 15.3449 8.25144 10.8634 7.04244 13.6534 numMergedOcc 0
14 mol 85 unq 5 iso 0 dist 8.21116 15.3449 8.25144 15.0522 9.63449 3.93938 numMergedOcc 0
15 mol 85 unq 6 iso 0 dist 8.21116 15.3449 8.25144 12.6759 7.91193 11.6517 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 5.91023 11.5585 9.90672 5.90092 6.5816 9.43399 numMergedOcc 0
17 mol 98 unq 1 iso 0 dist 5.91023 6.1745 7.55367 5.90092 6.5816 3.61204 numMergedOcc 0
18 mol 113 unq 0 iso 0 dist 9.00481 7.02101 7.40338 9.83939 5.31126 6.29259 numMergedOcc 0
19 mol 113 unq 1 iso 0 dist 9.00481 7.02101 7.40338 9.2752 7.16619 7.08122 numMergedOcc 0
20 mol 113 unq 2 iso 0 dist 9.00481 5.95402 6.23759 9.83939 5.31126 8.17309 numMergedOcc 0
21 mol 113 unq 3 iso 0 dist 9.00481 5.95402 6.23759 9.2752 7.16619 9.30967 numMergedOcc 0
22 mol 113 unq 4 iso 0 dist 9.27028 7.73772 9.62952 16.2029 7.02358 14.7833 numMergedOcc 0
23 mol 117 unq 0 iso 0 dist 5.56913 4.60771 9.82836 11.3762 9.02015 13.6461 numMergedOcc 0
24 mol 117 unq 1 iso 0 dist 5.56913 6.85703 6.5788 11.3762 9.02015 6.05048 numMergedOcc 0
25 mol 117 unq 2 iso 0 dist 5.56913 9.39186 6.2771 11.3762 9.02015 4.42665 numMergedOcc 0
26 mol 143 unq 0 iso 0 dist 6.91039 8.63303 7.2932 4.62104 4.3855 4.5497 numMergedOcc 0
27 mol 169 unq 0 iso 0 dist 9.3206 7.21295 7.85698 9.93901 5.10589 6.28646 numMergedOcc 0
28 mol 169 unq 1 iso 0 dist 9.3206 6.08318 6.35799 9.93901 5.10589 7.83748 numMergedOcc 0
29 mol 169 unq 2 iso 0 dist 6.18165 15.414 9.84538 6.5732 5.10589 14.1141 numMergedOcc 0
30 mol 169 unq 3 iso 0 dist 6.18165 15.414 9.84538 4.14139 4.63336 13.1539 numMergedOcc 0
31 mol 169 unq 4 iso 0 dist 6.18165 15.414 9.84538 7.73206 6.10715 11.6489 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 8.19926 6.73937 9.31569 4.32488 7.25595 9.73374 numMergedOcc 0
33 mol 186 unq 1 iso 0 dist 8.19926 6.73937 9.31569 12.1543 9.94825 7.47658 numMergedOcc 0
34 mol 186 unq 2 iso 0 dist 8.19926 15.8935 8.72743 4.32488 7.25595 14.2269 numMergedOcc 0
35 mol 186 unq 3 iso 0 dist 8.19926 15.8935 8.72743 12.1543 9.94825 9.76301 numMergedOcc 0
36 mol 193 unq 0 iso 0 dist 9.28442 14.5516 9.9042 6.06113 8.30069 11.1328 numMergedOcc 0
37 mol 193 unq 1 iso 0 dist 9.28442 14.5516 9.9042 3.45561 8.83551 11.6691 numMergedOcc 0
38 mol 193 unq 2 iso 0 dist 9.28442 11.2251 6.21262 6.06113 8.30069 11.4882 numMergedOcc 0
39 mol 193 unq 3 iso 0 dist 9.28442 11.2251 6.21262 3.45561 8.83551 9.7301 numMergedOcc 0
40 mol 260 unq 0 iso 0 dist 7.22473 4.48112 6.49413 7.91474 8.62655 7.28821 numMergedOcc 0
41 mol 260 unq 1 iso 0 dist 6.02628 4.48112 6.12343 5.30931 7.04263 3.60349 numMergedOcc 0
42 mol 260 unq 2 iso 0 dist 7.13397 5.72956 6.49413 4.38276 8.62655 7.28821 numMergedOcc 0
43 mol 260 unq 3 iso 0 dist 5.33278 5.72956 4.52405 8.90225 6.48099 3.60349 numMergedOcc 0
44 mol 281 unq 0 iso 0 dist 8.78416 13.7467 6.18742 16.2332 7.90368 3.78169 numMergedOcc 0
45 mol 281 unq 1 iso 0 dist 8.78416 13.7467 6.18742 10.564 6.69267 11.7772 numMergedOcc 0
46 mol 281 unq 2 iso 0 dist 9.22428 13.7467 6.8089 9.75261 5.33372 10.3992 numMergedOcc 0
47 mol 281 unq 3 iso 0 dist 9.22428 13.7467 6.8089 10.564 6.56886 11.7772 numMergedOcc 0
48 mol 281 unq 4 iso 0 dist 7.82358 12.8593 6.18742 12.9503 7.90368 3.78169 numMergedOcc 0
49 mol 281 unq 5 iso 0 dist 7.82358 12.8593 6.18742 9.45924 6.69267 11.7772 numMergedOcc 0
50 mol 281 unq 6 iso 0 dist 7.95687 13.7172 6.8089 3.73592 5.33372 10.3992 numMergedOcc 0
51 mol 281 unq 7 iso 0 dist 7.95687 13.7172 6.8089 10.8606 6.56886 11.7772 numMergedOcc 0
52 mol 284 unq 0 iso 0 dist 5.06373 6.4111 7.74874 4.16786 5.6964 3.57807 numMergedOcc 0
53 mol 291 unq 0 iso 0 dist 7.19577 4.474 5.40381 4.24113 8.95881 6.58485 numMergedOcc 0
54 mol 292 unq 0 iso 0 dist 4.97488 4.59906 5.91617 4.34603 8.07775 5.06937 numMergedOcc 0
55 mol 292 unq 1 iso 0 dist 8.80146 5.59939 5.91617 7.1411 8.07775 5.06937 numMergedOcc 0
