0 mol 18 unq 0 iso 0 dist 8.81762 5.32149 7.14832 8.1366 16.6589 10.8911 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 5.32149 8.81762 7.14832 8.1366 10.8911 16.6589 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 6.84521 8.90024 5.06502 9.92963 15.4121 18.4575 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 8.90024 6.84521 5.06502 9.92963 18.4575 15.4121 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 6.84521 8.90024 5.06502 8.07389 8.42544 6.09486 numMergedOcc 0
5 mol 43 unq 1 iso 1 dist 8.90024 6.84521 5.06502 8.07389 6.09486 8.42544 numMergedOcc 0
6 mol 43 unq 2 iso 0 dist 6.84521 6.78532 5.89973 9.92963 15.4121 13.9259 numMergedOcc 0
7 mol 43 unq 2 iso 1 dist 6.78532 6.84521 5.89973 9.92963 13.9259 15.4121 numMergedOcc 0
8 mol 43 unq 3 iso 0 dist 6.84521 6.78532 5.89973 8.07389 8.42544 4.40385 numMergedOcc 0
9 mol 43 unq 3 iso 1 dist 6.78532 6.84521 5.89973 8.07389 4.40385 8.42544 numMergedOcc 0
10 mol 43 unq 2 iso 0 dist 8.90024 6.78532 6.45462 9.92963 18.4575 13.9259 numMergedOcc 0
11 mol 43 unq 2 iso 1 dist 6.78532 8.90024 6.45462 9.92963 13.9259 18.4575 numMergedOcc 0
12 mol 43 unq 3 iso 0 dist 8.90024 6.78532 6.45462 8.07389 6.09486 4.40385 numMergedOcc 0
13 mol 43 unq 3 iso 1 dist 6.78532 8.90024 6.45462 8.07389 4.40385 6.09486 numMergedOcc 0
14 mol 69 unq 0 iso 0 dist 8.27307 6.92837 8.99811 9.40686 11.8246 3.85648 numMergedOcc 0
15 mol 69 unq 0 iso 1 dist 6.92837 8.27307 8.99811 9.40686 3.85648 11.8246 numMergedOcc 0
16 mol 70 unq 0 iso 0 dist 8.30653 6.91739 7.13583 9.29166 15.4825 9.58894 numMergedOcc 0
17 mol 70 unq 0 iso 1 dist 6.91739 8.30653 7.13583 9.29166 9.58894 15.4825 numMergedOcc 0
18 mol 89 unq 0 iso 0 dist 8.85873 7.3606 6.88931 7.00136 4.30591 5.1661 numMergedOcc 0
19 mol 89 unq 0 iso 1 dist 7.3606 8.85873 6.88931 7.00136 5.1661 4.30591 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 9.96446 6.70686 5.04493 7.69672 12.6706 8.52106 numMergedOcc 0
21 mol 92 unq 0 iso 1 dist 6.70686 9.96446 5.04493 7.69672 8.52106 12.6706 numMergedOcc 0
22 mol 154 unq 0 iso 0 dist 6.44195 7.34207 9.41666 5.7306 4.66975 9.20471 numMergedOcc 0
23 mol 154 unq 0 iso 1 dist 7.34207 6.44195 9.41666 5.7306 9.20471 4.66975 numMergedOcc 0
24 mol 167 unq 0 iso 0 dist 7.9895 6.53913 9.36756 7.71402 7.45933 6.38496 numMergedOcc 0
25 mol 167 unq 0 iso 1 dist 6.53913 7.9895 9.36756 7.71402 6.38496 7.45933 numMergedOcc 0
26 mol 167 unq 1 iso 0 dist 7.9895 6.53913 9.36756 4.74768 8.42327 8.09332 numMergedOcc 0
27 mol 167 unq 1 iso 1 dist 6.53913 7.9895 9.36756 4.74768 8.09332 8.42327 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 6.0639 6.91355 6.85436 9.02321 5.04574 11.8536 numMergedOcc 0
29 mol 186 unq 0 iso 1 dist 6.91355 6.0639 6.85436 9.02321 11.8536 5.04574 numMergedOcc 0
30 mol 206 unq 0 iso 0 dist 5.82039 6.22964 7.08143 9.1579 6.13816 9.20417 numMergedOcc 0
31 mol 206 unq 0 iso 1 dist 6.22964 5.82039 7.08143 9.1579 9.20417 6.13816 numMergedOcc 0
32 mol 225 unq 0 iso 0 dist 8.14464 9.93754 16.5576 9.7268 12.2034 7.96183 numMergedOcc 0
33 mol 225 unq 0 iso 1 dist 9.93754 8.14464 16.5576 9.7268 7.96183 12.2034 numMergedOcc 0
34 mol 235 unq 0 iso 0 dist 9.03917 6.56775 8.31875 7.79729 8.98913 10.8002 numMergedOcc 0
35 mol 235 unq 0 iso 1 dist 6.56775 9.03917 8.31875 7.79729 10.8002 8.98913 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 9.2067 9.16078 5.30627 9.95473 8.40328 10.2114 numMergedOcc 0
37 mol 258 unq 0 iso 1 dist 9.16078 9.2067 5.30627 9.95473 10.2114 8.40328 numMergedOcc 0
38 mol 266 unq 0 iso 0 dist 6.95233 9.61741 13.0015 9.85095 5.60582 17.1864 numMergedOcc 0
39 mol 266 unq 0 iso 1 dist 9.61741 6.95233 13.0015 9.85095 17.1864 5.60582 numMergedOcc 0
40 mol 266 unq 1 iso 0 dist 6.95233 9.61741 13.0015 8.25191 10.3169 15.5379 numMergedOcc 0
41 mol 266 unq 1 iso 1 dist 9.61741 6.95233 13.0015 8.25191 15.5379 10.3169 numMergedOcc 0
42 mol 266 unq 2 iso 0 dist 6.95233 9.61741 13.0015 7.35056 9.69688 12.4229 numMergedOcc 0
43 mol 266 unq 2 iso 1 dist 9.61741 6.95233 13.0015 7.35056 12.4229 9.69688 numMergedOcc 0
44 mol 266 unq 3 iso 0 dist 6.95233 5.61056 7.49927 9.85095 5.60582 12.5903 numMergedOcc 0
45 mol 266 unq 3 iso 1 dist 5.61056 6.95233 7.49927 9.85095 12.5903 5.60582 numMergedOcc 0
46 mol 266 unq 4 iso 0 dist 6.95233 5.61056 7.49927 8.25191 10.3169 9.37668 numMergedOcc 0
47 mol 266 unq 4 iso 1 dist 5.61056 6.95233 7.49927 8.25191 9.37668 10.3169 numMergedOcc 0
48 mol 266 unq 5 iso 0 dist 6.95233 5.61056 7.49927 7.35056 9.69688 6.29234 numMergedOcc 0
49 mol 266 unq 5 iso 1 dist 5.61056 6.95233 7.49927 7.35056 6.29234 9.69688 numMergedOcc 0
50 mol 266 unq 3 iso 0 dist 9.61741 5.61056 7.0568 9.85095 17.1864 12.5903 numMergedOcc 0
51 mol 266 unq 3 iso 1 dist 5.61056 9.61741 7.0568 9.85095 12.5903 17.1864 numMergedOcc 0
52 mol 266 unq 4 iso 0 dist 9.61741 5.61056 7.0568 8.25191 15.5379 9.37668 numMergedOcc 0
53 mol 266 unq 4 iso 1 dist 5.61056 9.61741 7.0568 8.25191 9.37668 15.5379 numMergedOcc 0
54 mol 266 unq 5 iso 0 dist 9.61741 5.61056 7.0568 7.35056 12.4229 6.29234 numMergedOcc 0
55 mol 266 unq 5 iso 1 dist 5.61056 9.61741 7.0568 7.35056 6.29234 12.4229 numMergedOcc 0
