0 mol 21 unq 0 iso 0 dist 6.29808 4.09637 5.63735 5.13371 7.05407 3.76294 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.83657 10.7321 9.98592 6.50335 8.69288 5.32861 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.83657 10.7321 9.98592 10.0354 7.77964 3.84336 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.74914 6.3045 9.98592 3.79072 8.69288 5.32861 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.74914 6.3045 9.98592 6.08283 7.77964 3.84336 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 6.84751 9.56649 9.96912 5.43726 8.96682 12.358 numMergedOcc 0
6 mol 30 unq 0 iso 0 dist 8.93805 8.03355 9.4577 4.87092 7.27243 9.01474 numMergedOcc 0
7 mol 30 unq 1 iso 0 dist 9.83449 12.0074 9.4577 5.85756 7.27243 9.01474 numMergedOcc 0
8 mol 34 unq 0 iso 0 dist 5.51172 4.4218 6.88052 4.71262 7.01952 7.68459 numMergedOcc 0
9 mol 34 unq 1 iso 0 dist 5.51172 4.4218 6.88052 4.28439 4.58552 5.70782 numMergedOcc 0
10 mol 68 unq 0 iso 0 dist 8.8014 6.78661 7.98985 6.73987 5.7369 7.71726 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 6.22872 3.99262 5.7684 14.4394 8.46627 12.3893 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 6.22872 3.99262 5.7684 15.3565 9.22208 14.6305 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 8.25047 12.1829 8.77077 11.5226 9.08825 5.44918 numMergedOcc 0
14 mol 79 unq 0 iso 0 dist 8.52697 12.6241 9.77084 3.89377 8.64934 9.51372 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 9.61144 5.60623 6.59716 13.5622 9.99441 11.7168 numMergedOcc 0
16 mol 105 unq 0 iso 0 dist 9.84347 14.1459 7.77089 9.34708 9.17843 13.4342 numMergedOcc 0
17 mol 112 unq 0 iso 0 dist 5.80831 6.84726 7.67238 4.03471 6.96745 10.6938 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 4.54218 4.37003 5.92302 6.90735 7.92216 3.98068 numMergedOcc 0
19 mol 141 unq 1 iso 0 dist 4.54218 4.34943 5.29898 6.90735 7.92216 10.1551 numMergedOcc 0
20 mol 141 unq 2 iso 0 dist 8.36316 9.86195 5.92302 13.0345 7.92216 3.98068 numMergedOcc 0
21 mol 141 unq 3 iso 0 dist 8.36316 4.50791 5.29898 13.0345 7.92216 10.1551 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 8.79662 10.4451 8.23406 5.03056 5.72 6.67077 numMergedOcc 0
23 mol 235 unq 0 iso 0 dist 9.42801 11.4437 8.97952 12.6737 6.03081 10.6687 numMergedOcc 0
24 mol 235 unq 1 iso 0 dist 9.42801 11.4437 8.97952 8.47779 7.41433 10.6919 numMergedOcc 0
25 mol 273 unq 0 iso 0 dist 7.05843 5.91547 5.61969 5.74227 9.02537 10.5462 numMergedOcc 0
26 mol 273 unq 1 iso 0 dist 7.05843 5.8152 9.0277 5.74227 9.02537 11.5353 numMergedOcc 0
