0 mol 10 unq 0 iso 0 dist 6.02543 9.61828 6.18431 5.40169 3.92592 5.59965 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.24948 6.99746 5.80953 11.5841 10.0453 6.72323 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.01284 4.82556 5.78532 6.2004 6.86136 5.95834 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.01284 6.25108 8.49709 6.2004 6.86136 4.2121 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 6.73167 5.30297 6.07276 10.9962 10.1622 6.93197 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 7.90721 5.45023 6.7142 6.74848 10.0347 6.56527 numMergedOcc 0
6 mol 26 unq 2 iso 0 dist 6.38243 5.66783 6.81793 9.5053 4.76998 6.56527 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 8.04168 10.6438 6.5551 9.72007 4.53016 9.78384 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 8.04168 10.6438 6.5551 19.2738 13.1414 8.87742 numMergedOcc 0
9 mol 79 unq 2 iso 0 dist 8.04168 10.6438 6.5551 13.2163 6.0749 4.93468 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 7.8435 15.8624 9.19977 18.8493 11.7638 8.74378 numMergedOcc 0
11 mol 93 unq 1 iso 0 dist 7.8435 14.7862 7.28831 18.8493 11.7638 8.89417 numMergedOcc 0
12 mol 93 unq 2 iso 0 dist 7.8435 14.7862 7.28831 10.998 5.93472 9.95255 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 6.83746 14.6934 9.25444 10.3996 3.92737 7.36769 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 6.83746 11.4207 8.46823 10.3996 3.92737 6.88901 numMergedOcc 0
15 mol 98 unq 2 iso 0 dist 8.75597 8.02554 9.84703 8.43352 3.94967 7.36769 numMergedOcc 0
16 mol 98 unq 3 iso 0 dist 8.75597 11.2092 4.62494 8.43352 3.94967 6.88901 numMergedOcc 0
17 mol 98 unq 4 iso 0 dist 9.14707 16.2968 9.25444 10.5879 3.92737 7.36769 numMergedOcc 0
18 mol 98 unq 5 iso 0 dist 9.14707 8.26478 8.46823 10.5879 3.92737 6.88901 numMergedOcc 0
19 mol 98 unq 6 iso 0 dist 9.18457 16.2968 9.84703 10.5879 3.94967 7.36769 numMergedOcc 0
20 mol 98 unq 7 iso 0 dist 9.18457 8.26478 4.62494 10.5879 3.94967 6.88901 numMergedOcc 0
21 mol 112 unq 0 iso 0 dist 7.44041 15.0784 8.72725 14.1545 8.72143 7.80873 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 6.78801 5.66194 7.75314 5.44303 6.11089 5.87084 numMergedOcc 0
23 mol 141 unq 0 iso 0 dist 6.99125 12.612 9.27009 10.8163 6.93828 6.75376 numMergedOcc 0
24 mol 141 unq 1 iso 0 dist 6.77921 5.38571 6.65731 12.165 14.0725 9.10042 numMergedOcc 0
25 mol 141 unq 2 iso 0 dist 6.77921 5.38571 6.65731 10.7655 13.1981 9.75059 numMergedOcc 0
26 mol 141 unq 3 iso 0 dist 6.77921 5.38571 6.65731 4.46777 3.98068 6.83404 numMergedOcc 0
27 mol 171 unq 0 iso 0 dist 8.999 11.6944 7.47964 13.2038 11.4851 5.25109 numMergedOcc 0
28 mol 171 unq 1 iso 0 dist 8.999 11.6944 7.47964 14.8717 12.9811 8.21618 numMergedOcc 0
29 mol 194 unq 0 iso 0 dist 5.53324 5.92931 4.19371 5.68348 4.002 6.1886 numMergedOcc 0
30 mol 194 unq 1 iso 0 dist 6.72182 7.50057 9.00322 5.68348 7.41775 6.38324 numMergedOcc 0
31 mol 225 unq 0 iso 0 dist 7.8744 8.98957 6.94762 9.23935 3.94409 8.37739 numMergedOcc 0
32 mol 225 unq 1 iso 0 dist 7.8744 8.98957 6.94762 7.77552 6.88465 9.47237 numMergedOcc 0
33 mol 260 unq 0 iso 0 dist 9.50634 7.16782 9.31888 12.6052 9.46408 9.32954 numMergedOcc 0
