0 mol 11 unq 0 iso 0 dist 9.52695 5.8961 5.96346 6.65725 8.73067 8.05213 12.8782 12.8869 13.3455 6.35021 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.78754 5.71129 6.35398 6.35394 9.09091 7.85924 12.8696 12.6523 13.1065 6.56599 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 5.84625 5.40367 8.80614 9.80755 9.11258 6.47744 9.33642 4.92118 10.9921 9.9648 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 6.23138 4.96726 9.97159 6.84612 9.32552 5.3948 9.82294 8.95689 9.21546 5.1488 numMergedOcc 0
4 mol 126 unq 0 iso 0 dist 8.97111 4.84035 6.30546 4.56139 7.36017 7.01257 13.0491 9.50242 13.8457 8.62574 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 6.42904 6.26797 9.22661 5.80615 6.51868 4.68409 12.4361 9.68947 9.1146 7.46812 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 7.31633 5.36939 7.56378 6.2062 7.34698 4.68409 5.84909 5.10826 9.1146 7.46812 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 6.78469 6.4437 9.87644 4.06022 8.00449 4.29204 9.73865 7.22151 11.6655 8.37295 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 8.01453 5.91683 9.87644 6.47962 8.00449 4.29204 8.52591 7.22151 11.6655 8.37295 numMergedOcc 0
9 mol 148 unq 0 iso 0 dist 9.80819 9.27313 6.22055 11.6995 9.73927 10.2478 13.508 9.03832 14.1021 9.21934 numMergedOcc 0
10 mol 148 unq 1 iso 0 dist 9.80819 12.8573 8.18085 11.6995 9.73927 6.84291 13.508 9.03832 12.9544 9.21934 numMergedOcc 0
11 mol 150 unq 0 iso 0 dist 9.81665 9.25213 6.14675 11.8035 9.66129 10.2318 13.5808 9.0892 14.0932 9.13113 numMergedOcc 0
12 mol 150 unq 1 iso 0 dist 9.81665 12.8265 7.94889 11.8035 9.66129 6.79619 13.5808 9.0892 12.8058 9.13113 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 5.66363 9.47799 8.90963 7.58472 5.95304 8.25067 10.5831 5.51195 10.6064 5.89833 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 5.97968 9.09989 8.90963 4.24915 5.95304 8.25067 8.90161 5.51195 10.6064 5.89833 numMergedOcc 0
15 mol 181 unq 2 iso 0 dist 8.50382 12.4243 8.90963 4.20499 5.95304 8.25067 7.11262 5.51195 10.6064 5.89833 numMergedOcc 0
16 mol 181 unq 3 iso 0 dist 8.63119 4.98009 8.90963 5.70246 5.95304 8.25067 10.5851 5.51195 10.6064 5.89833 numMergedOcc 0
17 mol 181 unq 4 iso 0 dist 9.07527 9.32503 5.9176 12.5567 8.9289 13.3389 16.5452 9.06982 12.5213 7.39743 numMergedOcc 0
18 mol 188 unq 0 iso 0 dist 9.37017 4.04545 8.10214 14.7966 9.33696 12.0548 13.5626 5.01686 11.3059 6.02957 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 7.26887 4.39639 8.94014 11.0995 7.04753 10.8635 14.5898 7.39114 15.5404 9.61559 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 7.26887 6.57364 7.02333 11.0995 7.04753 5.68826 14.5898 7.39114 12.9484 9.61559 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 7.26887 10.9854 8.67864 11.0995 7.04753 4.87097 14.5898 7.39114 11.6387 9.61559 numMergedOcc 0
