0 mol 19 unq 0 iso 0 dist 8.0122 6.50749 7.97324 10.5638 6.63929 7.20519 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.0122 6.50749 7.97324 10.3036 8.33878 4.54938 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 8.0122 6.50749 7.97324 13.0647 11.8689 6.864 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 9.37288 6.01116 5.75761 12.5042 6.55615 9.80098 numMergedOcc 0
4 mol 52 unq 1 iso 0 dist 9.37288 6.01116 5.75761 6.08894 9.64358 7.34143 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 7.58843 10.3508 7.56581 13.4422 8.17454 9.5589 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 7.58843 14.0756 9.22021 13.4422 8.17454 6.83299 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 9.78695 10.7122 5.72373 15.6545 10.2773 8.14887 numMergedOcc 0
8 mol 127 unq 1 iso 0 dist 9.78695 10.7122 5.72373 10.8022 10.7123 9.30299 numMergedOcc 0
9 mol 175 unq 0 iso 0 dist 9.06319 12.9417 6.95549 14.0156 5.32538 9.29945 numMergedOcc 0
10 mol 229 unq 0 iso 0 dist 6.38661 5.6419 7.38552 9.68636 5.31837 7.03423 numMergedOcc 0
11 mol 229 unq 1 iso 0 dist 6.38661 5.6419 7.38552 7.81415 4.74734 9.06952 numMergedOcc 0
12 mol 239 unq 0 iso 0 dist 8.28351 4.94369 7.18198 10.4143 9.00586 7.00034 numMergedOcc 0
13 mol 248 unq 0 iso 0 dist 7.16203 10.6802 9.12664 10.2339 5.41499 7.21521 numMergedOcc 0
14 mol 248 unq 1 iso 0 dist 7.16203 5.45614 6.51383 10.2339 5.41499 8.2965 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 9.9553 10.759 8.14531 9.80417 4.88549 6.60405 numMergedOcc 0
16 mol 258 unq 1 iso 0 dist 9.9553 10.759 8.14531 15.1916 10.8069 6.42289 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 7.48629 5.07898 7.64122 11.1914 10.1317 7.88519 numMergedOcc 0
18 mol 259 unq 1 iso 0 dist 7.48629 5.07898 7.64122 8.70852 8.53114 7.84554 numMergedOcc 0
19 mol 259 unq 2 iso 0 dist 7.48629 5.07898 7.64122 9.89728 4.63899 7.46176 numMergedOcc 0
20 mol 259 unq 3 iso 0 dist 7.48629 5.07898 7.64122 6.42437 8.41812 9.18903 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 9.10949 6.76618 6.32856 14.1118 11.5556 7.56915 numMergedOcc 0
22 mol 274 unq 1 iso 0 dist 9.10949 6.76618 6.32856 13.2503 13.5073 8.49997 numMergedOcc 0
