0 mol 18 unq 0 iso 0 dist 4.70023 9.04157 10.7484 9.99878 14.4772 9.7728 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 7.19406 7.12713 9.83606 8.08636 13.8894 5.81662 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 6.49446 6.0827 6.13411 8.53924 10.7642 7.49792 numMergedOcc 0
3 mol 62 unq 1 iso 0 dist 6.49446 6.0827 6.13411 4.38006 9.3024 6.58981 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.99618 6.45955 9.93156 5.1569 13.9571 9.50763 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 9.71591 9.94133 6.08409 4.39945 8.40399 9.64361 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 9.04398 6.38269 8.81921 13.5639 11.5477 9.44 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 9.04398 7.11196 6.384 13.5639 11.5477 8.47634 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 9.35529 8.31527 8.9188 10.7979 13.2922 5.56598 numMergedOcc 0
9 mol 120 unq 1 iso 0 dist 9.35529 8.31527 8.9188 6.76794 11.8479 5.39792 numMergedOcc 0
10 mol 120 unq 2 iso 0 dist 9.35529 8.31527 8.9188 5.49859 12.8119 7.00542 numMergedOcc 0
11 mol 120 unq 3 iso 0 dist 9.35529 7.64841 3.71884 6.76794 11.8479 8.44206 numMergedOcc 0
12 mol 120 unq 4 iso 0 dist 9.35529 7.64841 3.71884 5.49859 12.8119 9.78884 numMergedOcc 0
13 mol 185 unq 0 iso 0 dist 8.86187 9.62449 3.15736 4.03855 7.5578 8.60009 numMergedOcc 0
14 mol 185 unq 1 iso 0 dist 9.27825 9.62449 5.80135 4.03855 6.06763 8.60009 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 9.60654 7.22151 3.90226 4.40718 6.22747 5.65735 numMergedOcc 0
16 mol 225 unq 1 iso 0 dist 7.11262 7.22151 6.59432 4.40718 9.21404 5.65735 numMergedOcc 0
17 mol 243 unq 0 iso 0 dist 9.6748 8.35328 3.79865 5.23854 6.81644 7.39884 numMergedOcc 0
18 mol 243 unq 1 iso 0 dist 8.71177 8.35328 8.58943 5.23854 10.1208 7.39884 numMergedOcc 0
19 mol 264 unq 0 iso 0 dist 9.51483 9.05194 4.95134 14.9602 13.9427 9.05879 numMergedOcc 0
20 mol 264 unq 1 iso 0 dist 9.51483 9.05194 4.95134 5.495 8.73749 6.67548 numMergedOcc 0
21 mol 264 unq 2 iso 0 dist 9.51483 9.02526 4.79249 5.495 8.73749 5.57579 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 9.477 9.03099 12.1357 12.1152 17.6375 7.43884 numMergedOcc 0
