0 mol 27 unq 0 iso 0 dist 9.32099 5.56554 7.78697 9.99766 4.9754 9.40719 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 9.99766 5.56554 9.40719 9.32099 4.9754 7.78697 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 5.32407 6.72942 6.42569 6.53102 3.81436 9.13872 numMergedOcc 0
3 mol 33 unq 1 iso 0 dist 5.32407 6.72942 6.42569 7.76575 4.59375 7.27307 numMergedOcc 0
4 mol 33 unq 2 iso 0 dist 5.32407 6.72942 6.42569 9.74394 8.78909 5.73206 numMergedOcc 0
5 mol 33 unq 3 iso 0 dist 6.53102 6.72942 9.13872 5.32407 3.81436 6.42569 numMergedOcc 0
6 mol 33 unq 4 iso 0 dist 6.53102 6.72942 9.13872 7.76575 3.8653 7.27307 numMergedOcc 0
7 mol 33 unq 5 iso 0 dist 6.53102 6.72942 9.13872 9.74394 9.45612 5.73206 numMergedOcc 0
8 mol 33 unq 6 iso 0 dist 7.76575 6.72942 7.27307 5.32407 4.59375 6.42569 numMergedOcc 0
9 mol 33 unq 7 iso 0 dist 7.76575 6.72942 7.27307 6.53102 3.8653 9.13872 numMergedOcc 0
10 mol 33 unq 8 iso 0 dist 7.76575 6.72942 7.27307 9.74394 6.05212 5.73206 numMergedOcc 0
11 mol 33 unq 9 iso 0 dist 9.74394 6.72942 5.73206 5.32407 8.78909 6.42569 numMergedOcc 0
12 mol 33 unq 10 iso 0 dist 9.74394 6.72942 5.73206 6.53102 9.45612 9.13872 numMergedOcc 0
13 mol 33 unq 11 iso 0 dist 9.74394 6.72942 5.73206 7.76575 6.05212 7.27307 numMergedOcc 0
14 mol 61 unq 0 iso 0 dist 6.01552 8.01646 7.31677 10.7324 8.61908 8.6338 numMergedOcc 0
15 mol 69 unq 0 iso 0 dist 9.40266 6.16362 7.00234 10.1509 7.55848 7.30652 numMergedOcc 0
16 mol 69 unq 1 iso 0 dist 9.34288 12.391 7.30652 16.3769 7.55848 7.00234 numMergedOcc 0
17 mol 76 unq 0 iso 0 dist 7.98824 5.1763 9.33989 9.42329 3.94577 8.57953 numMergedOcc 0
18 mol 76 unq 1 iso 0 dist 9.42329 5.1763 8.57953 7.98824 3.94577 9.33989 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 6.74947 12.8281 8.52591 14.3613 9.03348 9.73865 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 5.91079 9.51216 5.81277 9.86224 5.80929 5.05912 numMergedOcc 0
21 mol 205 unq 1 iso 0 dist 5.91079 9.51216 5.81277 12.7533 9.66755 6.60429 numMergedOcc 0
22 mol 226 unq 0 iso 0 dist 9.31677 12.1893 7.67573 12.2727 4.07375 5.71182 numMergedOcc 0
23 mol 233 unq 0 iso 0 dist 8.36772 4.62851 9.72186 8.83541 9.80429 8.39315 numMergedOcc 0
24 mol 233 unq 1 iso 0 dist 8.83541 4.62851 8.39315 8.36772 9.80429 9.72186 numMergedOcc 0
25 mol 233 unq 2 iso 0 dist 7.89581 9.98649 8.39315 16.4687 9.80429 9.72186 numMergedOcc 0
26 mol 236 unq 0 iso 0 dist 6.54859 7.3073 6.94194 10.4413 4.83206 6.74849 numMergedOcc 0
