0 mol 1 unq 0 iso 0 dist 9.78935 10.8375 8.56884 7.28542 5.96833 4.50502 numMergedOcc 0
1 mol 21 unq 0 iso 0 dist 7.38586 5.62318 6.08338 15.9925 9.35562 14.0241 numMergedOcc 0
2 mol 21 unq 1 iso 0 dist 7.38586 5.62318 6.08338 4.7793 8.63857 4.20001 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 7.33936 14.036 8.68559 4.87576 7.11053 10.7345 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 5.53875 5.92411 6.91734 5.29182 5.64432 5.95511 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 9.77131 6.626 6.91734 4.74667 5.64432 5.95511 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 8.10708 7.43198 6.23899 5.39975 8.67634 4.53828 numMergedOcc 0
7 mol 59 unq 1 iso 0 dist 8.42956 4.60667 6.23899 5.08334 8.67634 4.53828 numMergedOcc 0
8 mol 59 unq 2 iso 0 dist 9.20253 8.34147 6.23899 5.46757 8.67634 4.53828 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 6.36583 6.24736 6.19042 6.31352 6.13374 6.20019 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 6.36583 5.81718 8.43904 6.31352 6.13374 4.39676 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 6.61636 14.1314 7.92688 4.97581 9.10003 14.8533 numMergedOcc 0
12 mol 173 unq 0 iso 0 dist 7.33162 7.92818 7.93331 15.3642 8.62366 12.4131 numMergedOcc 0
13 mol 173 unq 1 iso 0 dist 7.33162 7.92818 7.93331 14.6996 9.44973 8.85462 numMergedOcc 0
14 mol 173 unq 2 iso 0 dist 7.33162 7.92818 7.93331 10.1636 6.52508 6.91529 numMergedOcc 0
15 mol 173 unq 3 iso 0 dist 7.33162 8.40346 6.98095 15.3642 8.62366 12.5815 numMergedOcc 0
16 mol 173 unq 4 iso 0 dist 7.33162 8.40346 6.98095 14.6996 9.44973 9.65654 numMergedOcc 0
17 mol 173 unq 5 iso 0 dist 7.33162 8.40346 6.98095 10.1636 6.52508 9.44845 numMergedOcc 0
18 mol 173 unq 6 iso 0 dist 7.33162 11.3291 8.31897 15.3642 8.62366 8.63452 numMergedOcc 0
19 mol 173 unq 7 iso 0 dist 7.33162 11.3291 8.31897 14.6996 9.44973 4.83786 numMergedOcc 0
20 mol 173 unq 8 iso 0 dist 7.33162 11.3291 8.31897 10.1636 6.52508 3.74688 numMergedOcc 0
21 mol 194 unq 0 iso 0 dist 8.40972 5.55582 6.15769 11.1777 6.54481 5.97754 numMergedOcc 0
22 mol 194 unq 1 iso 0 dist 7.03163 6.12629 6.15769 8.5366 6.54481 5.97754 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 5.91133 5.04898 7.82944 11.812 8.98681 10.9161 numMergedOcc 0
24 mol 220 unq 1 iso 0 dist 9.49722 14.13 7.82944 4.606 8.98681 10.9161 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 6.37369 10.8811 9.62609 9.72794 9.8009 14.6485 numMergedOcc 0
26 mol 228 unq 0 iso 0 dist 9.91303 14.0089 9.42615 5.01445 8.6457 10.0586 numMergedOcc 0
27 mol 228 unq 1 iso 0 dist 9.91303 14.0089 9.42615 9.80607 8.8055 4.76982 numMergedOcc 0
28 mol 228 unq 2 iso 0 dist 4.55699 5.85714 9.42615 6.49057 8.6457 10.0586 numMergedOcc 0
29 mol 228 unq 3 iso 0 dist 4.55699 5.85714 9.42615 5.33324 8.8055 4.76982 numMergedOcc 0
30 mol 228 unq 4 iso 0 dist 8.10816 5.85714 8.06181 11.5135 7.84881 9.3302 numMergedOcc 0
31 mol 228 unq 5 iso 0 dist 8.10816 10.5025 8.38048 11.5135 7.84881 6.49596 numMergedOcc 0
32 mol 228 unq 6 iso 0 dist 8.10816 14.2891 7.65132 11.5135 7.84881 6.30327 numMergedOcc 0
33 mol 228 unq 7 iso 0 dist 8.10816 10.0386 8.53764 11.5135 7.84881 11.9013 numMergedOcc 0
34 mol 228 unq 8 iso 0 dist 7.81837 14.5035 8.06181 10.4618 7.84881 9.3302 numMergedOcc 0
35 mol 228 unq 9 iso 0 dist 7.81837 11.9658 8.38048 10.4618 7.84881 6.49596 numMergedOcc 0
36 mol 228 unq 10 iso 0 dist 7.81837 5.84747 7.65132 10.4618 7.84881 6.30327 numMergedOcc 0
37 mol 228 unq 11 iso 0 dist 7.81837 12.7016 8.53764 10.4618 7.84881 11.9013 numMergedOcc 0
38 mol 228 unq 12 iso 0 dist 7.95486 5.79543 7.77367 11.5792 7.86746 9.39743 numMergedOcc 0
39 mol 228 unq 13 iso 0 dist 7.95486 10.4968 8.20909 11.5792 7.86746 6.65033 numMergedOcc 0
40 mol 228 unq 14 iso 0 dist 7.95486 14.5051 7.94506 11.5792 7.86746 6.19376 numMergedOcc 0
41 mol 228 unq 15 iso 0 dist 7.95486 10.0847 8.15494 11.5792 7.86746 11.8243 numMergedOcc 0
42 mol 228 unq 16 iso 0 dist 4.42593 5.79543 9.06121 6.25439 8.66946 9.80263 numMergedOcc 0
43 mol 228 unq 17 iso 0 dist 4.42593 5.79543 9.06121 5.17467 8.55761 4.63053 numMergedOcc 0
44 mol 228 unq 18 iso 0 dist 7.97746 14.4066 7.77367 10.0985 7.86746 9.39743 numMergedOcc 0
45 mol 228 unq 19 iso 0 dist 7.97746 11.8013 8.20909 10.0985 7.86746 6.65033 numMergedOcc 0
46 mol 228 unq 20 iso 0 dist 7.97746 5.70777 7.94506 10.0985 7.86746 6.19376 numMergedOcc 0
47 mol 228 unq 21 iso 0 dist 7.97746 12.5209 8.15494 10.0985 7.86746 11.8243 numMergedOcc 0
48 mol 233 unq 0 iso 0 dist 5.64376 7.92104 9.43203 8.21114 8.24424 8.59528 numMergedOcc 0
49 mol 233 unq 1 iso 0 dist 5.64376 7.92104 9.43203 5.73999 7.0942 5.43315 numMergedOcc 0
50 mol 233 unq 2 iso 0 dist 5.64376 7.92104 9.43203 9.13536 6.01775 6.8325 numMergedOcc 0
51 mol 238 unq 0 iso 0 dist 6.40309 7.01206 7.67322 5.36582 7.39547 5.71717 numMergedOcc 0
52 mol 248 unq 0 iso 0 dist 9.83514 9.48478 6.07192 9.33595 5.0345 4.58289 numMergedOcc 0
53 mol 282 unq 0 iso 0 dist 7.10557 10.9773 6.85028 8.55841 7.52924 4.57104 numMergedOcc 0
54 mol 282 unq 1 iso 0 dist 7.10557 11.2762 7.32347 8.55841 7.52924 5.29852 numMergedOcc 0
55 mol 282 unq 2 iso 0 dist 7.10557 6.28612 8.3411 8.55841 7.52924 5.80572 numMergedOcc 0
