0 mol 15 unq 0 iso 0 dist 5.94245 5.72359 5.33641 6.16313 9.9822 8.111 numMergedOcc 0
1 mol 21 unq 0 iso 0 dist 6.77108 7.46409 5.55622 13.0943 10.9364 5.93898 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 8.80308 6.86485 5.66912 7.71984 5.93884 9.22598 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 8.80308 6.86485 5.66912 4.67517 7.68678 8.96727 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 8.80308 8.37546 5.76523 4.67517 7.68678 8.01308 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 7.98453 6.89527 5.26394 6.27668 11.6703 8.3733 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 8.04111 9.77648 11.1059 8.93735 13.9953 5.99857 numMergedOcc 0
7 mol 69 unq 1 iso 0 dist 8.04111 9.77648 11.1059 12.4431 15.1138 6.9362 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 6.70158 5.46186 9.86691 10.2851 14.8636 9.22631 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 7.29701 5.46186 5.43515 10.2851 14.4787 9.22631 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 6.45174 5.93561 7.14708 5.15479 10.2642 6.29161 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 6.45174 5.33967 9.91505 5.15479 10.2642 7.86666 numMergedOcc 0
12 mol 109 unq 2 iso 0 dist 6.45174 5.33967 9.91505 14.949 17.7945 9.77497 numMergedOcc 0
13 mol 109 unq 3 iso 0 dist 8.46446 5.93561 13.0165 5.15479 13.0672 6.29161 numMergedOcc 0
14 mol 109 unq 4 iso 0 dist 8.46446 5.33967 7.60413 5.15479 13.0672 7.86666 numMergedOcc 0
15 mol 109 unq 5 iso 0 dist 8.46446 5.33967 7.60413 14.949 11.8965 9.77497 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 9.19273 9.26505 6.44969 10.0419 12.125 6.24825 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 9.68996 7.33743 4.10674 6.80087 11.8524 8.77023 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 8.83185 7.83476 4.98436 5.49497 5.94469 6.64173 numMergedOcc 0
19 mol 264 unq 0 iso 0 dist 8.68638 6.66615 13.0036 5.2836 11.0482 5.90924 numMergedOcc 0
20 mol 264 unq 1 iso 0 dist 8.68638 6.66615 13.0036 4.53426 13.0346 5.90058 numMergedOcc 0
21 mol 264 unq 2 iso 0 dist 8.68638 6.66615 13.0036 13.628 17.025 9.58916 numMergedOcc 0
