0 mol 10 unq 0 iso 0 dist 9.6309 4.96625 8.76873 13.4978 7.83083 13.5119 numMergedOcc 0
1 mol 10 unq 0 iso 1 dist 8.76873 4.96625 9.6309 13.5119 7.83083 13.4978 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 9.6309 4.96625 8.76873 16.554 9.05394 13.7688 numMergedOcc 0
3 mol 10 unq 1 iso 1 dist 8.76873 4.96625 9.6309 13.7688 9.05394 16.554 numMergedOcc 0
4 mol 10 unq 2 iso 0 dist 9.6309 10.304 9.58981 13.4978 7.83083 10.6599 numMergedOcc 0
5 mol 10 unq 2 iso 1 dist 9.58981 10.304 9.6309 10.6599 7.83083 13.4978 numMergedOcc 0
6 mol 10 unq 3 iso 0 dist 9.6309 10.304 9.58981 16.554 9.05394 9.33256 numMergedOcc 0
7 mol 10 unq 3 iso 1 dist 9.58981 10.304 9.6309 9.33256 9.05394 16.554 numMergedOcc 0
8 mol 10 unq 2 iso 0 dist 8.76873 7.00368 9.58981 13.5119 7.83083 10.6599 numMergedOcc 0
9 mol 10 unq 2 iso 1 dist 9.58981 7.00368 8.76873 10.6599 7.83083 13.5119 numMergedOcc 0
10 mol 10 unq 3 iso 0 dist 8.76873 7.00368 9.58981 13.7688 9.05394 9.33256 numMergedOcc 0
11 mol 10 unq 3 iso 1 dist 9.58981 7.00368 8.76873 9.33256 9.05394 13.7688 numMergedOcc 0
12 mol 59 unq 0 iso 0 dist 9.34271 14.4502 8.69574 6.07398 8.185 12.5806 numMergedOcc 0
13 mol 59 unq 0 iso 1 dist 8.69574 14.4502 9.34271 12.5806 8.185 6.07398 numMergedOcc 0
14 mol 59 unq 1 iso 0 dist 9.34271 14.4502 8.69574 11.9466 6.68153 8.93644 numMergedOcc 0
15 mol 59 unq 1 iso 1 dist 8.69574 14.4502 9.34271 8.93644 6.68153 11.9466 numMergedOcc 0
16 mol 69 unq 0 iso 0 dist 9.56859 7.55848 5.75135 14.8167 7.17133 12.8471 numMergedOcc 0
17 mol 69 unq 0 iso 1 dist 5.75135 7.55848 9.56859 12.8471 7.17133 14.8167 numMergedOcc 0
18 mol 83 unq 0 iso 0 dist 9.94528 6.07706 8.94777 9.39588 7.69755 12.0034 numMergedOcc 0
19 mol 83 unq 0 iso 1 dist 8.94777 6.07706 9.94528 12.0034 7.69755 9.39588 numMergedOcc 0
20 mol 83 unq 1 iso 0 dist 9.94528 6.07706 8.94777 14.6472 9.64197 16.6651 numMergedOcc 0
21 mol 83 unq 1 iso 1 dist 8.94777 6.07706 9.94528 16.6651 9.64197 14.6472 numMergedOcc 0
22 mol 83 unq 2 iso 0 dist 9.94528 10.6092 9.47551 9.39588 7.69755 5.68174 numMergedOcc 0
23 mol 83 unq 2 iso 1 dist 9.47551 10.6092 9.94528 5.68174 7.69755 9.39588 numMergedOcc 0
24 mol 83 unq 3 iso 0 dist 9.94528 10.6092 9.47551 14.6472 9.64197 6.90476 numMergedOcc 0
25 mol 83 unq 3 iso 1 dist 9.47551 10.6092 9.94528 6.90476 9.64197 14.6472 numMergedOcc 0
26 mol 83 unq 2 iso 0 dist 8.94777 14.4438 9.47551 12.0034 7.69755 5.68174 numMergedOcc 0
27 mol 83 unq 2 iso 1 dist 9.47551 14.4438 8.94777 5.68174 7.69755 12.0034 numMergedOcc 0
28 mol 83 unq 3 iso 0 dist 8.94777 14.4438 9.47551 16.6651 9.64197 6.90476 numMergedOcc 0
29 mol 83 unq 3 iso 1 dist 9.47551 14.4438 8.94777 6.90476 9.64197 16.6651 numMergedOcc 0
30 mol 92 unq 0 iso 0 dist 5.48163 6.46167 7.7399 6.18402 4.91714 11.011 numMergedOcc 0
31 mol 92 unq 0 iso 1 dist 7.7399 6.46167 5.48163 11.011 4.91714 6.18402 numMergedOcc 0
32 mol 92 unq 1 iso 0 dist 8.23055 3.58204 8.30746 6.56343 6.34669 9.1793 numMergedOcc 0
33 mol 92 unq 1 iso 1 dist 8.30746 3.58204 8.23055 9.1793 6.34669 6.56343 numMergedOcc 0
34 mol 98 unq 0 iso 0 dist 9.68556 4.66569 8.73928 6.99582 9.45257 4.34199 numMergedOcc 0
35 mol 98 unq 0 iso 1 dist 8.73928 4.66569 9.68556 4.34199 9.45257 6.99582 numMergedOcc 0
36 mol 133 unq 0 iso 0 dist 4.82356 7.57921 8.83476 8.75242 9.35049 6.45333 numMergedOcc 0
37 mol 133 unq 0 iso 1 dist 8.83476 7.57921 4.82356 6.45333 9.35049 8.75242 numMergedOcc 0
38 mol 133 unq 1 iso 0 dist 8.22722 10.5425 8.52036 13.3296 6.67937 6.49614 numMergedOcc 0
39 mol 133 unq 1 iso 1 dist 8.52036 10.5425 8.22722 6.49614 6.67937 13.3296 numMergedOcc 0
40 mol 167 unq 0 iso 0 dist 8.95296 6.60061 6.10021 5.4173 8.06817 6.56771 numMergedOcc 0
41 mol 167 unq 0 iso 1 dist 6.10021 6.60061 8.95296 6.56771 8.06817 5.4173 numMergedOcc 0
42 mol 204 unq 0 iso 0 dist 8.49554 3.78668 8.29256 5.55359 9.92651 4.72843 numMergedOcc 0
43 mol 204 unq 0 iso 1 dist 8.29256 3.78668 8.49554 4.72843 9.92651 5.55359 numMergedOcc 0
44 mol 205 unq 0 iso 0 dist 8.93485 4.20051 5.66636 11.2438 8.83628 7.47443 numMergedOcc 0
45 mol 205 unq 0 iso 1 dist 5.66636 4.20051 8.93485 7.47443 8.83628 11.2438 numMergedOcc 0
46 mol 254 unq 0 iso 0 dist 9.09568 7.04018 7.84221 5.54706 5.83039 8.87361 numMergedOcc 0
47 mol 254 unq 0 iso 1 dist 7.84221 7.04018 9.09568 8.87361 5.83039 5.54706 numMergedOcc 0
48 mol 254 unq 1 iso 0 dist 9.99168 7.04018 9.67383 5.54706 6.74364 8.87361 numMergedOcc 0
49 mol 254 unq 1 iso 1 dist 9.67383 7.04018 9.99168 8.87361 6.74364 5.54706 numMergedOcc 0
50 mol 266 unq 0 iso 0 dist 9.35293 3.47783 7.93375 6.3565 6.48382 5.54798 numMergedOcc 0
51 mol 266 unq 0 iso 1 dist 7.93375 3.47783 9.35293 5.54798 6.48382 6.3565 numMergedOcc 0
52 mol 280 unq 0 iso 0 dist 9.22665 9.41086 9.84708 9.13465 7.00616 7.59724 numMergedOcc 0
53 mol 280 unq 0 iso 1 dist 9.84708 9.41086 9.22665 7.59724 7.00616 9.13465 numMergedOcc 0
54 mol 280 unq 1 iso 0 dist 9.22665 9.41086 9.84708 14.2183 9.19653 7.88431 numMergedOcc 0
55 mol 280 unq 1 iso 1 dist 9.84708 9.41086 9.22665 7.88431 9.19653 14.2183 numMergedOcc 0
