0 mol 30 unq 0 iso 0 dist 9.40183 6.44625 7.21054 5.92977 7.48723 3.8895 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 8.91743 11.0687 9.04819 7.07118 9.76979 13.0288 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 5.75355 4.64579 9.04819 9.43746 9.76979 13.0288 numMergedOcc 0
3 mol 39 unq 2 iso 0 dist 7.78346 4.91565 9.04819 10.3308 9.76979 13.0288 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 9.20373 8.97716 5.7405 13.0814 5.27979 7.25076 numMergedOcc 0
5 mol 71 unq 0 iso 0 dist 8.72533 11.3465 8.44181 9.1895 8.3479 4.7749 numMergedOcc 0
6 mol 71 unq 1 iso 0 dist 9.14345 11.7544 8.44181 8.21204 8.3479 4.7749 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 7.28599 5.03714 6.10897 5.31518 5.94317 4.22761 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 7.28599 11.0334 7.75436 5.31518 5.94317 7.1203 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 8.05937 4.92027 6.13508 10.6622 6.21165 8.99475 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 7.43112 10.8134 7.80701 5.55879 5.13405 5.92562 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 6.09693 4.31387 7.80701 3.40022 5.13405 5.92562 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 7.38183 13.1656 7.35385 14.7238 8.40695 4.20944 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 7.38183 13.1656 7.35385 16.6977 9.35867 6.685 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 8.89361 6.65747 5.08863 8.03203 9.59327 6.99467 numMergedOcc 0
15 mol 147 unq 1 iso 0 dist 8.89361 6.65747 5.08863 5.56351 8.51399 4.53687 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 6.70008 8.21142 9.27911 7.30777 4.51777 7.97895 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 9.92784 8.21142 8.57607 7.30777 4.9606 7.97895 numMergedOcc 0
18 mol 285 unq 0 iso 0 dist 9.23037 5.77313 9.56169 12.0007 8.79261 14.2203 numMergedOcc 0
19 mol 285 unq 1 iso 0 dist 9.23037 5.77313 9.56169 15.0759 9.99125 17.6669 numMergedOcc 0
20 mol 285 unq 2 iso 0 dist 9.23037 14.2829 8.02964 12.0007 8.79261 4.31553 numMergedOcc 0
21 mol 285 unq 3 iso 0 dist 9.23037 14.2829 8.02964 15.0759 9.99125 5.02414 numMergedOcc 0
