0 mol 7 unq 0 iso 0 dist 6.22805 6.96396 7.10621 11.1727 7.12508 6.1206 13.8869 11.143 7.67927 4.80709 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 6.22805 6.96396 7.10621 13.8869 11.143 7.67927 11.1727 7.12508 6.1206 4.80709 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 9.40559 11.8978 8.03644 15.1845 15.6249 8.27883 15.1965 12.4896 5.75428 6.27231 numMergedOcc 0
3 mol 95 unq 0 iso 1 dist 9.40559 11.8978 8.03644 15.1965 12.4896 5.75428 15.1845 15.6249 8.27883 6.27231 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 9.40559 11.8978 8.03644 15.1845 15.6249 8.27883 20.1016 14.2178 8.57395 11.734 numMergedOcc 0
5 mol 95 unq 1 iso 1 dist 9.40559 11.8978 8.03644 20.1016 14.2178 8.57395 15.1845 15.6249 8.27883 11.734 numMergedOcc 0
6 mol 95 unq 2 iso 0 dist 9.40559 11.8978 8.03644 15.1845 15.6249 8.27883 17.7481 8.78079 9.85409 17.4304 numMergedOcc 0
7 mol 95 unq 2 iso 1 dist 9.40559 11.8978 8.03644 17.7481 8.78079 9.85409 15.1845 15.6249 8.27883 17.4304 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 9.40559 11.8978 8.03644 15.1965 12.4896 5.75428 20.1016 14.2178 8.57395 6.95874 numMergedOcc 0
9 mol 95 unq 1 iso 1 dist 9.40559 11.8978 8.03644 20.1016 14.2178 8.57395 15.1965 12.4896 5.75428 6.95874 numMergedOcc 0
10 mol 95 unq 2 iso 0 dist 9.40559 11.8978 8.03644 15.1965 12.4896 5.75428 17.7481 8.78079 9.85409 12.3063 numMergedOcc 0
11 mol 95 unq 2 iso 1 dist 9.40559 11.8978 8.03644 17.7481 8.78079 9.85409 15.1965 12.4896 5.75428 12.3063 numMergedOcc 0
12 mol 95 unq 2 iso 0 dist 9.40559 11.8978 8.03644 20.1016 14.2178 8.57395 17.7481 8.78079 9.85409 9.43547 numMergedOcc 0
13 mol 95 unq 2 iso 1 dist 9.40559 11.8978 8.03644 17.7481 8.78079 9.85409 20.1016 14.2178 8.57395 9.43547 numMergedOcc 0
14 mol 95 unq 3 iso 0 dist 8.26838 15.4217 8.03644 18.674 11.3215 9.3948 11.3773 5.06946 9.74607 8.00584 numMergedOcc 0
15 mol 95 unq 3 iso 1 dist 8.26838 15.4217 8.03644 11.3773 5.06946 9.74607 18.674 11.3215 9.3948 8.00584 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 9.57498 6.89762 6.45675 13.3196 5.43561 7.82475 11.3211 6.30222 5.35782 3.5565 numMergedOcc 0
17 mol 100 unq 0 iso 1 dist 9.57498 6.89762 6.45675 11.3211 6.30222 5.35782 13.3196 5.43561 7.82475 3.5565 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 7.44784 7.64822 7.30858 14.5979 10.3209 7.69765 14.1895 15.3161 9.42082 11.044 numMergedOcc 0
19 mol 115 unq 0 iso 1 dist 7.44784 7.64822 7.30858 14.1895 15.3161 9.42082 14.5979 10.3209 7.69765 11.044 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 9.56867 7.64822 7.88312 14.5979 11.835 7.69765 14.1895 6.07067 9.42082 11.044 numMergedOcc 0
21 mol 115 unq 1 iso 1 dist 9.56867 7.64822 7.88312 14.1895 6.07067 9.42082 14.5979 11.835 7.69765 11.044 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 5.67862 12.4156 9.71307 19.6139 15.0225 9.1998 16.1624 10.8635 8.69531 5.83782 numMergedOcc 0
23 mol 134 unq 0 iso 1 dist 5.67862 12.4156 9.71307 16.1624 10.8635 8.69531 19.6139 15.0225 9.1998 5.83782 numMergedOcc 0
24 mol 143 unq 0 iso 0 dist 5.30872 6.3915 5.99315 12.82 13.1926 7.36975 9.84746 7.39837 5.40637 10.1474 numMergedOcc 0
25 mol 143 unq 0 iso 1 dist 5.30872 6.3915 5.99315 9.84746 7.39837 5.40637 12.82 13.1926 7.36975 10.1474 numMergedOcc 0
26 mol 167 unq 0 iso 0 dist 7.83781 6.43506 9.87651 10.4953 7.87971 7.20495 13.3506 12.0033 9.2289 9.25262 numMergedOcc 0
27 mol 167 unq 0 iso 1 dist 7.83781 6.43506 9.87651 13.3506 12.0033 9.2289 10.4953 7.87971 7.20495 9.25262 numMergedOcc 0
28 mol 167 unq 1 iso 0 dist 7.83781 6.43506 9.87651 10.4953 7.87971 7.20495 12.2826 11.6011 7.02548 6.81449 numMergedOcc 0
29 mol 167 unq 1 iso 1 dist 7.83781 6.43506 9.87651 12.2826 11.6011 7.02548 10.4953 7.87971 7.20495 6.81449 numMergedOcc 0
30 mol 167 unq 1 iso 0 dist 7.83781 6.43506 9.87651 13.3506 12.0033 9.2289 12.2826 11.6011 7.02548 3.55199 numMergedOcc 0
31 mol 167 unq 1 iso 1 dist 7.83781 6.43506 9.87651 12.2826 11.6011 7.02548 13.3506 12.0033 9.2289 3.55199 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 9.63295 12.5935 7.63312 17.7213 10.6474 6.64173 8.39573 5.93724 9.01624 11.196 numMergedOcc 0
33 mol 181 unq 0 iso 1 dist 9.63295 12.5935 7.63312 8.39573 5.93724 9.01624 17.7213 10.6474 6.64173 11.196 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 9.63295 12.5935 7.63312 17.7213 10.6474 6.64173 11.1521 5.12833 9.55105 10.1041 numMergedOcc 0
35 mol 181 unq 1 iso 1 dist 9.63295 12.5935 7.63312 11.1521 5.12833 9.55105 17.7213 10.6474 6.64173 10.1041 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 9.63295 12.5935 7.63312 8.39573 5.93724 9.01624 11.1521 5.12833 9.55105 3.55187 numMergedOcc 0
37 mol 181 unq 1 iso 1 dist 9.63295 12.5935 7.63312 11.1521 5.12833 9.55105 8.39573 5.93724 9.01624 3.55187 numMergedOcc 0
38 mol 222 unq 0 iso 0 dist 8.69148 9.97859 7.21333 13.422 6.84862 5.56538 15.096 9.53117 7.48954 3.58181 numMergedOcc 0
39 mol 222 unq 0 iso 1 dist 8.69148 9.97859 7.21333 15.096 9.53117 7.48954 13.422 6.84862 5.56538 3.58181 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 6.96379 12.7595 7.88519 13.0667 7.20604 9.63573 15.148 8.8603 7.66153 10.3051 numMergedOcc 0
41 mol 259 unq 0 iso 1 dist 6.96379 12.7595 7.88519 15.148 8.8603 7.66153 13.0667 7.20604 9.63573 10.3051 numMergedOcc 0
42 mol 277 unq 0 iso 0 dist 8.35794 5.77904 9.7748 13.222 11.4555 9.35539 9.91103 17.6038 8.9682 16.9644 numMergedOcc 0
43 mol 277 unq 0 iso 1 dist 8.35794 5.77904 9.7748 9.91103 17.6038 8.9682 13.222 11.4555 9.35539 16.9644 numMergedOcc 0
44 mol 277 unq 1 iso 0 dist 8.35794 5.77904 9.7748 13.222 11.4555 9.35539 7.0603 14.772 6.92711 15.8851 numMergedOcc 0
45 mol 277 unq 1 iso 1 dist 8.35794 5.77904 9.7748 7.0603 14.772 6.92711 13.222 11.4555 9.35539 15.8851 numMergedOcc 0
46 mol 277 unq 1 iso 0 dist 8.35794 5.77904 9.7748 9.91103 17.6038 8.9682 7.0603 14.772 6.92711 3.39114 numMergedOcc 0
47 mol 277 unq 1 iso 1 dist 8.35794 5.77904 9.7748 7.0603 14.772 6.92711 9.91103 17.6038 8.9682 3.39114 numMergedOcc 0
