0 mol 8 unq 0 iso 0 dist 7.12263 7.27018 5.65816 8.83742 8.64248 4.1204 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 8.38836 5.40169 7.71365 6.02543 5.61051 3.92592 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 4.75776 7.75295 5.68983 6.2676 5.04054 6.81798 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.58543 7.62738 15.4757 7.69861 5.24993 13.0054 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 5.51624 7.62611 11.4196 7.8435 4.97727 14.9656 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 5.51624 7.62611 11.4196 5.99269 5.77343 11.5397 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 5.51624 7.62611 11.4196 5.71763 11.0802 5.43515 numMergedOcc 0
7 mol 93 unq 3 iso 0 dist 7.8674 7.62611 8.05783 7.8435 13.8087 14.9656 numMergedOcc 0
8 mol 93 unq 4 iso 0 dist 7.8674 7.62611 8.05783 5.99269 9.96831 11.5397 numMergedOcc 0
9 mol 93 unq 5 iso 0 dist 7.8674 7.62611 8.05783 5.71763 5.33894 5.43515 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.03035 8.8562 6.96805 9.6121 6.71103 12.8661 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 8.03035 8.8562 6.96805 9.57341 6.29394 5.37917 numMergedOcc 0
12 mol 119 unq 2 iso 0 dist 8.03035 7.91683 13.3975 9.6121 6.71103 13.3563 numMergedOcc 0
13 mol 119 unq 3 iso 0 dist 8.03035 7.91683 13.3975 9.57341 6.29394 15.7711 numMergedOcc 0
14 mol 119 unq 4 iso 0 dist 7.6968 8.8562 4.86811 9.6121 12.4868 12.8661 numMergedOcc 0
15 mol 119 unq 5 iso 0 dist 7.6968 8.8562 4.86811 9.57341 9.64502 5.37917 numMergedOcc 0
16 mol 119 unq 6 iso 0 dist 7.6968 7.91683 8.00229 9.6121 12.4868 13.3563 numMergedOcc 0
17 mol 119 unq 7 iso 0 dist 7.6968 7.91683 8.00229 9.57341 9.64502 15.7711 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 7.76594 5.44303 5.67023 6.78801 4.24991 6.11089 numMergedOcc 0
19 mol 131 unq 1 iso 0 dist 7.76594 8.50562 10.9757 6.78801 4.24991 10.9311 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 8.26172 4.46777 6.52248 6.77921 10.2834 3.98068 numMergedOcc 0
21 mol 141 unq 1 iso 0 dist 8.26172 6.94988 4.98952 6.77921 10.2834 10.1551 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 5.73236 6.95372 5.99865 7.16698 6.55089 6.11087 numMergedOcc 0
23 mol 143 unq 1 iso 0 dist 5.73236 6.95372 5.99865 8.68663 6.16103 4.06908 numMergedOcc 0
24 mol 147 unq 0 iso 0 dist 9.23528 7.25644 15.9875 9.43989 17.3765 3.88427 numMergedOcc 0
25 mol 152 unq 0 iso 0 dist 8.60521 5.06613 7.72754 6.09987 5.55763 3.87512 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 7.55358 7.46987 13.1254 8.57801 13.0608 6.18065 numMergedOcc 0
27 mol 186 unq 1 iso 0 dist 7.60991 7.46987 8.74186 8.57801 11.868 6.18065 numMergedOcc 0
28 mol 186 unq 2 iso 0 dist 8.12349 4.5271 6.16503 7.04815 9.57029 3.87169 numMergedOcc 0
29 mol 186 unq 3 iso 0 dist 8.12349 4.5271 6.16503 6.07389 10.8203 5.65634 numMergedOcc 0
30 mol 186 unq 4 iso 0 dist 8.12349 7.02575 9.6472 7.04815 9.57029 8.65911 numMergedOcc 0
31 mol 186 unq 5 iso 0 dist 8.12349 7.02575 9.6472 6.07389 10.8203 3.87082 numMergedOcc 0
32 mol 193 unq 0 iso 0 dist 5.44396 7.8141 6.03632 7.39445 3.9625 9.96737 numMergedOcc 0
33 mol 193 unq 1 iso 0 dist 5.44396 8.43187 10.6169 7.39445 3.9625 11.3625 numMergedOcc 0
34 mol 193 unq 2 iso 0 dist 6.22972 7.8141 7.58433 7.39445 9.42379 9.96737 numMergedOcc 0
35 mol 193 unq 3 iso 0 dist 6.22972 8.43187 5.56664 7.39445 9.42379 11.3625 numMergedOcc 0
36 mol 194 unq 0 iso 0 dist 5.52678 5.68348 8.43261 5.53324 5.28603 4.002 numMergedOcc 0
37 mol 194 unq 1 iso 0 dist 5.52678 5.68348 8.43261 6.72182 9.8803 7.41775 numMergedOcc 0
38 mol 194 unq 2 iso 0 dist 9.81666 5.68348 13.8424 5.53324 11.0713 4.002 numMergedOcc 0
39 mol 194 unq 3 iso 0 dist 9.81666 5.68348 13.8424 6.72182 15.9964 7.41775 numMergedOcc 0
40 mol 218 unq 0 iso 0 dist 9.06334 9.32945 7.21841 8.04838 7.92114 6.95765 numMergedOcc 0
41 mol 225 unq 0 iso 0 dist 6.53728 9.23935 14.3973 9.87668 6.35462 18.9885 numMergedOcc 0
42 mol 225 unq 1 iso 0 dist 6.53728 9.23935 14.3973 8.42121 5.94765 16.1303 numMergedOcc 0
43 mol 225 unq 2 iso 0 dist 6.53728 9.23935 14.3973 7.8744 11.6976 3.94409 numMergedOcc 0
44 mol 225 unq 3 iso 0 dist 6.53728 9.23935 14.3973 4.98402 11.2847 7.96454 numMergedOcc 0
45 mol 225 unq 4 iso 0 dist 6.53728 7.77552 13.923 9.87668 6.35462 17.5145 numMergedOcc 0
46 mol 225 unq 5 iso 0 dist 6.53728 7.77552 13.923 8.42121 5.94765 14.5337 numMergedOcc 0
47 mol 225 unq 6 iso 0 dist 6.53728 7.77552 13.923 7.8744 11.6976 6.88465 numMergedOcc 0
48 mol 225 unq 7 iso 0 dist 6.53728 7.77552 13.923 4.98402 11.2847 4.45116 numMergedOcc 0
49 mol 264 unq 0 iso 0 dist 5.74568 7.21655 11.5512 7.14086 7.36132 13.0036 numMergedOcc 0
50 mol 284 unq 0 iso 0 dist 7.97588 9.63007 16.5329 9.07503 5.54893 14.7394 numMergedOcc 0
51 mol 284 unq 1 iso 0 dist 7.97588 9.63007 16.5329 7.63256 3.89435 14.5604 numMergedOcc 0
