0 mol 33 unq 0 iso 0 dist 8.41842 10.8869 8.04019 10.1727 7.44828 14.7604 3.93232 6.53195 7.85245 11.1555 numMergedOcc 0
1 mol 33 unq 0 iso 1 dist 8.41842 10.1727 7.44828 10.8869 8.04019 14.7604 3.93232 6.53195 11.1555 7.85245 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.05728 9.57046 9.40644 4.91237 5.35252 5.43494 11.3291 7.99434 3.85292 6.44604 numMergedOcc 0
3 mol 48 unq 0 iso 1 dist 8.05728 4.91237 5.35252 9.57046 9.40644 5.43494 11.3291 7.99434 6.44604 3.85292 numMergedOcc 0
4 mol 174 unq 0 iso 0 dist 4.77805 5.75017 7.27146 6.92858 6.25798 8.45124 7.70204 8.46317 5.30081 5.41946 numMergedOcc 0
5 mol 174 unq 0 iso 1 dist 4.77805 6.92858 6.25798 5.75017 7.27146 8.45124 7.70204 8.46317 5.41946 5.30081 numMergedOcc 0
6 mol 192 unq 0 iso 0 dist 8.86627 8.61606 7.36571 4.25327 9.80122 11.1205 9.70184 5.03588 3.9335 10.9472 numMergedOcc 0
7 mol 192 unq 0 iso 1 dist 8.86627 4.25327 9.80122 8.61606 7.36571 11.1205 9.70184 5.03588 10.9472 3.9335 numMergedOcc 0
8 mol 192 unq 1 iso 0 dist 8.86627 8.61606 7.36571 4.97164 9.17137 8.74203 9.70184 5.03588 3.9335 10.6087 numMergedOcc 0
9 mol 192 unq 1 iso 1 dist 8.86627 4.97164 9.17137 8.61606 7.36571 8.74203 9.70184 5.03588 10.6087 3.9335 numMergedOcc 0
10 mol 192 unq 1 iso 0 dist 8.86627 4.25327 9.80122 4.97164 9.17137 8.95038 9.70184 5.03588 10.9472 10.6087 numMergedOcc 0
11 mol 192 unq 1 iso 1 dist 8.86627 4.97164 9.17137 4.25327 9.80122 8.95038 9.70184 5.03588 10.6087 10.9472 numMergedOcc 0
12 mol 192 unq 2 iso 0 dist 9.10569 5.41356 7.36571 8.1874 9.80122 11.1205 8.12818 5.03588 3.9335 10.9472 numMergedOcc 0
13 mol 192 unq 2 iso 1 dist 9.10569 8.1874 9.80122 5.41356 7.36571 11.1205 8.12818 5.03588 10.9472 3.9335 numMergedOcc 0
14 mol 192 unq 3 iso 0 dist 9.10569 5.41356 7.36571 4.87986 9.17137 8.74203 8.12818 5.03588 3.9335 10.6087 numMergedOcc 0
15 mol 192 unq 3 iso 1 dist 9.10569 4.87986 9.17137 5.41356 7.36571 8.74203 8.12818 5.03588 10.6087 3.9335 numMergedOcc 0
16 mol 192 unq 3 iso 0 dist 9.10569 8.1874 9.80122 4.87986 9.17137 8.95038 8.12818 5.03588 10.9472 10.6087 numMergedOcc 0
17 mol 192 unq 3 iso 1 dist 9.10569 4.87986 9.17137 8.1874 9.80122 8.95038 8.12818 5.03588 10.6087 10.9472 numMergedOcc 0
18 mol 204 unq 0 iso 0 dist 8.40718 12.4189 6.20044 12.8445 8.41232 6.2357 16.6893 8.77524 6.42785 7.66776 numMergedOcc 0
19 mol 204 unq 0 iso 1 dist 8.40718 12.8445 8.41232 12.4189 6.20044 6.2357 16.6893 8.77524 7.66776 6.42785 numMergedOcc 0
20 mol 244 unq 0 iso 0 dist 9.53211 11.4783 7.43391 4.30655 7.79787 12.5222 3.29359 9.3491 9.14405 6.88123 numMergedOcc 0
21 mol 244 unq 0 iso 1 dist 9.53211 4.30655 7.79787 11.4783 7.43391 12.5222 3.29359 9.3491 6.88123 9.14405 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 9.46746 3.74614 9.48772 10.7968 5.53369 9.10334 3.78294 9.48672 4.65265 9.41237 numMergedOcc 0
23 mol 258 unq 0 iso 1 dist 9.46746 10.7968 5.53369 3.74614 9.48772 9.10334 3.78294 9.48672 9.41237 4.65265 numMergedOcc 0
24 mol 258 unq 1 iso 0 dist 9.46746 3.74614 9.48772 12.9568 8.57274 10.4538 3.78294 9.48672 4.65265 13.3588 numMergedOcc 0
25 mol 258 unq 1 iso 1 dist 9.46746 12.9568 8.57274 3.74614 9.48772 10.4538 3.78294 9.48672 13.3588 4.65265 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 9.46746 10.7968 5.53369 12.9568 8.57274 6.94631 3.78294 9.48672 9.41237 13.3588 numMergedOcc 0
27 mol 258 unq 1 iso 1 dist 9.46746 12.9568 8.57274 10.7968 5.53369 6.94631 3.78294 9.48672 13.3588 9.41237 numMergedOcc 0
28 mol 258 unq 2 iso 0 dist 7.31698 6.89961 9.48772 4.91726 5.53369 9.10334 5.23608 9.48672 4.65265 9.41237 numMergedOcc 0
29 mol 258 unq 2 iso 1 dist 7.31698 4.91726 5.53369 6.89961 9.48772 9.10334 5.23608 9.48672 9.41237 4.65265 numMergedOcc 0
30 mol 258 unq 3 iso 0 dist 7.31698 6.89961 9.48772 10.693 8.57274 10.4538 5.23608 9.48672 4.65265 13.3588 numMergedOcc 0
31 mol 258 unq 3 iso 1 dist 7.31698 10.693 8.57274 6.89961 9.48772 10.4538 5.23608 9.48672 13.3588 4.65265 numMergedOcc 0
32 mol 258 unq 3 iso 0 dist 7.31698 4.91726 5.53369 10.693 8.57274 6.94631 5.23608 9.48672 9.41237 13.3588 numMergedOcc 0
33 mol 258 unq 3 iso 1 dist 7.31698 10.693 8.57274 4.91726 5.53369 6.94631 5.23608 9.48672 13.3588 9.41237 numMergedOcc 0
34 mol 273 unq 0 iso 0 dist 9.80002 5.87385 5.78262 10.5975 7.6489 8.60201 14.1095 8.13393 8.94124 7.92723 numMergedOcc 0
35 mol 273 unq 0 iso 1 dist 9.80002 10.5975 7.6489 5.87385 5.78262 8.60201 14.1095 8.13393 7.92723 8.94124 numMergedOcc 0
36 mol 273 unq 1 iso 0 dist 6.73794 3.92089 5.78262 12.0094 7.6489 8.60201 10.5232 8.13393 8.94124 7.92723 numMergedOcc 0
37 mol 273 unq 1 iso 1 dist 6.73794 12.0094 7.6489 3.92089 5.78262 8.60201 10.5232 8.13393 7.92723 8.94124 numMergedOcc 0
38 mol 285 unq 0 iso 0 dist 5.76796 11.2606 7.872 8.7778 6.32984 8.70014 10.1123 7.08681 11.2722 3.57803 numMergedOcc 0
39 mol 285 unq 0 iso 1 dist 5.76796 8.7778 6.32984 11.2606 7.872 8.70014 10.1123 7.08681 3.57803 11.2722 numMergedOcc 0
40 mol 285 unq 1 iso 0 dist 5.76796 11.2606 7.872 8.7778 6.32984 8.70014 7.01472 4.95596 9.22192 11.1099 numMergedOcc 0
41 mol 285 unq 1 iso 1 dist 5.76796 8.7778 6.32984 11.2606 7.872 8.70014 7.01472 4.95596 11.1099 9.22192 numMergedOcc 0
42 mol 285 unq 2 iso 0 dist 5.76796 11.2606 7.872 8.7778 6.32984 8.70014 11.0045 6.3508 8.37376 11.5761 numMergedOcc 0
43 mol 285 unq 2 iso 1 dist 5.76796 8.7778 6.32984 11.2606 7.872 8.70014 11.0045 6.3508 11.5761 8.37376 numMergedOcc 0
44 mol 285 unq 3 iso 0 dist 5.76796 11.2606 7.872 8.7778 6.32984 8.70014 8.2602 8.3005 6.76283 11.5053 numMergedOcc 0
45 mol 285 unq 3 iso 1 dist 5.76796 8.7778 6.32984 11.2606 7.872 8.70014 8.2602 8.3005 11.5053 6.76283 numMergedOcc 0
46 mol 287 unq 0 iso 0 dist 6.76192 8.37461 6.96774 4.03583 7.14859 7.11169 11.7613 9.31611 5.03775 8.95194 numMergedOcc 0
47 mol 287 unq 0 iso 1 dist 6.76192 4.03583 7.14859 8.37461 6.96774 7.11169 11.7613 9.31611 8.95194 5.03775 numMergedOcc 0
48 mol 288 unq 0 iso 0 dist 6.76192 8.37461 6.96774 4.03583 7.14859 7.11169 11.7613 9.31611 5.03775 8.95194 numMergedOcc 0
49 mol 288 unq 0 iso 1 dist 6.76192 4.03583 7.14859 8.37461 6.96774 7.11169 11.7613 9.31611 8.95194 5.03775 numMergedOcc 0
50 mol 289 unq 0 iso 0 dist 6.76192 8.37461 6.96774 4.03583 7.14859 7.11169 11.7613 9.31611 5.03775 8.95194 numMergedOcc 0
51 mol 289 unq 0 iso 1 dist 6.76192 4.03583 7.14859 8.37461 6.96774 7.11169 11.7613 9.31611 8.95194 5.03775 numMergedOcc 0
