0 mol 54 unq 0 iso 0 dist 4.54652 7.54869 11.9881 7.84035 10.8658 6.91765 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 4.54652 6.29729 10.3564 7.84035 10.8658 5.06052 numMergedOcc 0
2 mol 54 unq 2 iso 0 dist 7.42848 7.54869 13.9079 7.84035 10.352 6.91765 numMergedOcc 0
3 mol 54 unq 3 iso 0 dist 7.42848 6.29729 10.4238 7.84035 10.352 5.06052 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 8.88571 6.97123 5.4671 8.79334 11.1625 5.94559 numMergedOcc 0
5 mol 61 unq 1 iso 0 dist 8.88571 9.532 10.1513 8.79334 11.1625 9.32363 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 7.69704 6.89004 6.07226 8.13402 11.0755 5.90098 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 6.60101 5.05103 5.81666 6.7542 6.21828 5.32628 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 8.83712 5.05103 5.56084 6.7542 7.05127 5.32628 numMergedOcc 0
9 mol 115 unq 2 iso 0 dist 6.60885 5.05103 6.98664 6.7542 5.6699 5.32628 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 9.74014 8.92484 7.11041 6.81647 10.7122 6.01663 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 9.40268 6.70271 6.80292 7.29853 10.546 12.0863 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 9.40268 6.2109 11.8155 7.29853 10.546 9.53782 numMergedOcc 0
13 mol 147 unq 0 iso 0 dist 8.64606 5.7191 5.90364 7.95117 11.92 6.02355 numMergedOcc 0
14 mol 175 unq 0 iso 0 dist 7.72575 6.94119 12.1089 8.70753 8.65486 8.22779 numMergedOcc 0
15 mol 197 unq 0 iso 0 dist 9.71675 9.24777 10.913 6.51728 5.92782 5.2908 numMergedOcc 0
16 mol 197 unq 1 iso 0 dist 8.67145 9.24777 8.69245 6.51728 10.1284 5.2908 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 7.6829 8.76025 12.3119 6.23614 5.89971 7.23534 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 7.6829 8.76025 12.3119 6.23614 5.89971 7.23534 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 7.6829 8.76025 12.3119 6.23614 5.89971 7.23534 numMergedOcc 0
