0 mol 19 unq 0 iso 0 dist 7.84393 9.01721 7.82074 6.31174 8.73972 6.55187 4.93362 6.36455 5.18512 6.87842 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 6.30194 10.5627 6.19304 5.14919 4.65521 7.41074 14.8714 8.73253 8.26458 11.2505 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 5.79954 14.1415 9.38498 13.1044 8.70133 13.4082 5.67493 7.04044 15.7304 11.2505 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 5.79954 12.8388 9.96396 13.1044 8.70133 7.41074 5.67493 7.04044 8.26458 11.2505 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 5.79954 9.65653 9.75218 13.1044 8.70133 15.9882 5.67493 7.04044 8.35241 11.2505 numMergedOcc 0
5 mol 73 unq 4 iso 0 dist 7.01889 7.9573 9.38498 15.124 8.70133 13.4082 11.2215 7.04044 15.7304 11.2505 numMergedOcc 0
6 mol 73 unq 5 iso 0 dist 7.01889 15.0744 9.96396 15.124 8.70133 7.41074 11.2215 7.04044 8.26458 11.2505 numMergedOcc 0
7 mol 73 unq 6 iso 0 dist 7.01889 8.11922 9.75218 15.124 8.70133 15.9882 11.2215 7.04044 8.35241 11.2505 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 9.56867 9.97256 6.11741 7.97477 6.99777 10.8292 4.64486 5.74857 6.08806 6.03931 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 9.56867 9.97256 6.11741 6.58038 9.14376 6.12943 4.64486 5.74857 6.08806 5.99374 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 9.56867 7.64822 7.88312 7.97477 6.99777 11.7126 4.64486 5.74857 7.21418 6.03931 numMergedOcc 0
11 mol 115 unq 3 iso 0 dist 9.56867 7.64822 7.88312 6.58038 9.14376 4.62962 4.64486 5.74857 7.21418 5.99374 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 7.97208 12.5576 6.54501 6.30187 8.6355 10.1448 11.5403 5.53031 5.35679 11.9544 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 7.97208 9.52819 6.49416 6.30187 8.6355 5.41704 11.5403 5.53031 8.46636 11.9544 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 7.7292 13.4646 7.10633 11.695 5.90931 5.09262 12.0796 6.85441 8.17229 10.7974 numMergedOcc 0
15 mol 204 unq 1 iso 0 dist 7.7292 9.54287 8.51516 11.695 5.90931 12.9483 12.0796 6.85441 5.74707 10.7974 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 9.40003 16.5528 9.65138 13.377 6.97182 6.16485 12.2978 6.38157 7.38025 9.26037 numMergedOcc 0
17 mol 214 unq 1 iso 0 dist 9.40003 16.5528 9.65138 9.36638 6.1175 11.5712 12.2978 6.38157 7.38025 11.353 numMergedOcc 0
18 mol 214 unq 2 iso 0 dist 9.40003 9.11345 7.14453 13.377 6.97182 5.33565 12.2978 6.38157 9.35273 9.26037 numMergedOcc 0
19 mol 214 unq 3 iso 0 dist 9.40003 9.11345 7.14453 9.36638 6.1175 5.06792 12.2978 6.38157 9.35273 11.353 numMergedOcc 0
20 mol 214 unq 4 iso 0 dist 9.40003 16.922 8.85478 13.377 6.97182 8.47007 12.2978 6.38157 5.63388 9.26037 numMergedOcc 0
21 mol 214 unq 5 iso 0 dist 9.40003 16.922 8.85478 9.36638 6.1175 12.8334 12.2978 6.38157 5.63388 11.353 numMergedOcc 0
22 mol 214 unq 6 iso 0 dist 8.68385 10.2443 9.65138 8.07861 6.97182 6.16485 11.7781 6.38157 7.38025 9.26037 numMergedOcc 0
23 mol 214 unq 7 iso 0 dist 8.68385 10.2443 9.65138 10.2576 6.1175 11.5712 11.7781 6.38157 7.38025 11.353 numMergedOcc 0
24 mol 214 unq 8 iso 0 dist 8.68385 12.5421 7.14453 8.07861 6.97182 5.33565 11.7781 6.38157 9.35273 9.26037 numMergedOcc 0
25 mol 214 unq 9 iso 0 dist 8.68385 12.5421 7.14453 10.2576 6.1175 5.06792 11.7781 6.38157 9.35273 11.353 numMergedOcc 0
26 mol 214 unq 10 iso 0 dist 8.68385 9.18071 8.85478 8.07861 6.97182 8.47007 11.7781 6.38157 5.63388 9.26037 numMergedOcc 0
27 mol 214 unq 11 iso 0 dist 8.68385 9.18071 8.85478 10.2576 6.1175 12.8334 11.7781 6.38157 5.63388 11.353 numMergedOcc 0
28 mol 220 unq 0 iso 0 dist 8.9077 10.6943 9.23153 10.4277 6.84247 6.7067 5.41948 5.45036 6.17628 5.49803 numMergedOcc 0
29 mol 220 unq 1 iso 0 dist 8.9077 10.6943 9.23153 10.4277 6.84247 6.7067 15.1445 9.97586 14.0253 7.44322 numMergedOcc 0
30 mol 220 unq 2 iso 0 dist 8.9077 10.6943 9.23153 12.6281 6.99002 15.9568 5.41948 5.45036 6.17628 11.2241 numMergedOcc 0
31 mol 220 unq 3 iso 0 dist 8.9077 10.6943 9.23153 12.6281 6.99002 15.9568 15.1445 9.97586 14.0253 9.68359 numMergedOcc 0
32 mol 220 unq 4 iso 0 dist 8.9077 15.396 8.24498 10.4277 6.84247 6.05129 5.41948 5.45036 10.4136 5.49803 numMergedOcc 0
33 mol 220 unq 5 iso 0 dist 8.9077 15.396 8.24498 10.4277 6.84247 6.05129 15.1445 9.97586 6.20511 7.44322 numMergedOcc 0
34 mol 220 unq 6 iso 0 dist 8.9077 15.396 8.24498 12.6281 6.99002 11.1321 5.41948 5.45036 10.4136 11.2241 numMergedOcc 0
35 mol 220 unq 7 iso 0 dist 8.9077 15.396 8.24498 12.6281 6.99002 11.1321 15.1445 9.97586 6.20511 9.68359 numMergedOcc 0
36 mol 224 unq 0 iso 0 dist 7.04127 11.7724 9.40098 9.20195 8.19953 8.64911 6.23345 8.37597 6.77927 8.5129 numMergedOcc 0
37 mol 224 unq 1 iso 0 dist 7.04127 4.55824 6.61986 9.20195 8.19953 10.7113 6.23345 8.37597 4.59567 8.5129 numMergedOcc 0
38 mol 236 unq 0 iso 0 dist 6.36941 8.3919 9.81562 11.4732 5.34718 11.8759 7.05684 8.50331 7.22918 11.6774 numMergedOcc 0
39 mol 236 unq 1 iso 0 dist 6.36941 4.88785 7.68742 11.4732 5.34718 11.3552 7.05684 8.50331 9.05842 11.6774 numMergedOcc 0
40 mol 236 unq 2 iso 0 dist 6.36941 10.2557 6.27581 11.4732 5.34718 6.04825 7.05684 8.50331 7.00028 11.6774 numMergedOcc 0
41 mol 248 unq 0 iso 0 dist 6.44967 9.48478 7.69895 7.99967 8.50864 10.1857 4.01898 6.17052 5.99459 6.53154 numMergedOcc 0
42 mol 253 unq 0 iso 0 dist 8.53729 16.1265 9.02271 15.6651 7.19465 7.92528 4.60689 7.77998 13.6942 14.5407 numMergedOcc 0
43 mol 253 unq 1 iso 0 dist 8.07341 16.581 9.02271 14.0411 7.19465 7.92528 9.18036 7.77998 13.6942 14.5407 numMergedOcc 0
44 mol 272 unq 0 iso 0 dist 8.82094 4.78295 8.48753 10.6582 7.67853 6.64985 9.7816 9.05222 6.59863 6.3139 numMergedOcc 0
45 mol 272 unq 1 iso 0 dist 9.80332 8.26567 8.48753 5.96784 7.67853 6.64985 11.6389 9.05222 6.59863 6.3139 numMergedOcc 0
46 mol 272 unq 2 iso 0 dist 6.62923 11.9042 9.97651 6.99865 9.09992 10.841 14.4134 9.19033 10.26 11.8912 numMergedOcc 0
47 mol 272 unq 3 iso 0 dist 6.62923 11.9042 9.97651 10.3424 6.16449 4.72202 14.4134 9.19033 10.26 6.56154 numMergedOcc 0
48 mol 272 unq 4 iso 0 dist 6.62923 5.27123 8.46116 6.99865 9.09992 5.63139 14.4134 9.19033 13.5034 11.8912 numMergedOcc 0
49 mol 272 unq 5 iso 0 dist 6.62923 5.27123 8.46116 10.3424 6.16449 8.52877 14.4134 9.19033 13.5034 6.56154 numMergedOcc 0
