0 mol 64 unq 0 iso 0 dist 9.99634 8.21081 9.80142 11.6323 9.54144 6.23335 numMergedOcc 0
1 mol 64 unq 0 iso 1 dist 9.99634 11.6323 9.54144 8.21081 9.80142 6.23335 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 8.24121 6.51655 7.04352 15.9496 8.1114 14.4772 numMergedOcc 0
3 mol 69 unq 0 iso 1 dist 8.24121 15.9496 8.1114 6.51655 7.04352 14.4772 numMergedOcc 0
4 mol 87 unq 0 iso 0 dist 9.1329 11.1364 7.51358 16.0648 8.93296 8.12939 numMergedOcc 0
5 mol 87 unq 0 iso 1 dist 9.1329 16.0648 8.93296 11.1364 7.51358 8.12939 numMergedOcc 0
6 mol 87 unq 1 iso 0 dist 5.26938 7.62644 7.51358 10.8096 8.93296 8.12939 numMergedOcc 0
7 mol 87 unq 1 iso 1 dist 5.26938 10.8096 8.93296 7.62644 7.51358 8.12939 numMergedOcc 0
8 mol 87 unq 2 iso 0 dist 6.8014 5.5768 7.51358 4.56692 8.93296 8.12939 numMergedOcc 0
9 mol 87 unq 2 iso 1 dist 6.8014 4.56692 8.93296 5.5768 7.51358 8.12939 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 9.56867 7.97477 6.99777 6.58038 9.14376 11.889 numMergedOcc 0
11 mol 115 unq 0 iso 1 dist 9.56867 6.58038 9.14376 7.97477 6.99777 11.889 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 6.85677 9.87733 9.80862 11.7378 8.43904 4.84196 numMergedOcc 0
13 mol 119 unq 0 iso 1 dist 6.85677 11.7378 8.43904 9.87733 9.80862 4.84196 numMergedOcc 0
14 mol 124 unq 0 iso 0 dist 7.23052 10.5562 6.83051 12.5603 9.28376 4.81682 numMergedOcc 0
15 mol 124 unq 0 iso 1 dist 7.23052 12.5603 9.28376 10.5562 6.83051 4.81682 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 9.05626 5.53247 6.89257 8.63186 8.74308 6.09983 numMergedOcc 0
17 mol 130 unq 0 iso 1 dist 9.05626 8.63186 8.74308 5.53247 6.89257 6.09983 numMergedOcc 0
18 mol 155 unq 0 iso 0 dist 6.53758 6.40439 8.87452 6.76022 7.68368 6.0706 numMergedOcc 0
19 mol 155 unq 0 iso 1 dist 6.53758 6.76022 7.68368 6.40439 8.87452 6.0706 numMergedOcc 0
20 mol 155 unq 1 iso 0 dist 7.28355 10.0058 7.16254 10.5375 9.86313 7.63368 numMergedOcc 0
21 mol 155 unq 1 iso 1 dist 7.28355 10.5375 9.86313 10.0058 7.16254 7.63368 numMergedOcc 0
22 mol 155 unq 2 iso 0 dist 8.66709 7.00069 7.39644 14.2312 7.70572 9.42764 numMergedOcc 0
23 mol 155 unq 2 iso 1 dist 8.66709 14.2312 7.70572 7.00069 7.39644 9.42764 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 9.40003 13.377 6.97182 9.36638 6.1175 5.93129 numMergedOcc 0
25 mol 214 unq 0 iso 1 dist 9.40003 9.36638 6.1175 13.377 6.97182 5.93129 numMergedOcc 0
26 mol 214 unq 1 iso 0 dist 8.68385 8.07861 6.97182 10.2576 6.1175 5.93129 numMergedOcc 0
27 mol 214 unq 1 iso 1 dist 8.68385 10.2576 6.1175 8.07861 6.97182 5.93129 numMergedOcc 0
28 mol 218 unq 0 iso 0 dist 9.88212 13.5954 7.18041 12.7227 7.17547 9.17818 numMergedOcc 0
29 mol 218 unq 0 iso 1 dist 9.88212 12.7227 7.17547 13.5954 7.18041 9.17818 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 8.9077 10.4277 6.84247 12.6281 6.99002 11.5311 numMergedOcc 0
31 mol 220 unq 0 iso 1 dist 8.9077 12.6281 6.99002 10.4277 6.84247 11.5311 numMergedOcc 0
32 mol 224 unq 0 iso 0 dist 4.79841 5.64308 7.06793 7.32238 6.67585 6.88258 numMergedOcc 0
33 mol 224 unq 0 iso 1 dist 4.79841 7.32238 6.67585 5.64308 7.06793 6.88258 numMergedOcc 0
34 mol 227 unq 0 iso 0 dist 6.095 5.17887 5.86443 5.52229 7.22914 5.76653 numMergedOcc 0
35 mol 227 unq 0 iso 1 dist 6.095 5.52229 7.22914 5.17887 5.86443 5.76653 numMergedOcc 0
36 mol 236 unq 0 iso 0 dist 9.97357 11.4732 7.17676 14.1057 6.68463 7.88539 numMergedOcc 0
37 mol 236 unq 0 iso 1 dist 9.97357 14.1057 6.68463 11.4732 7.17676 7.88539 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 8.89538 13.2905 6.77463 10.4286 7.2766 10.9258 numMergedOcc 0
39 mol 238 unq 0 iso 1 dist 8.89538 10.4286 7.2766 13.2905 6.77463 10.9258 numMergedOcc 0
40 mol 240 unq 0 iso 0 dist 6.01168 6.40204 6.15305 11.4113 8.0951 11.0721 numMergedOcc 0
41 mol 240 unq 0 iso 1 dist 6.01168 11.4113 8.0951 6.40204 6.15305 11.0721 numMergedOcc 0
42 mol 240 unq 1 iso 0 dist 6.83069 10.6805 6.15305 5.79056 8.0951 11.0721 numMergedOcc 0
43 mol 240 unq 1 iso 1 dist 6.83069 5.79056 8.0951 10.6805 6.15305 11.0721 numMergedOcc 0
44 mol 272 unq 0 iso 0 dist 6.62923 6.99865 9.09992 10.3424 6.16449 9.75529 numMergedOcc 0
45 mol 272 unq 0 iso 1 dist 6.62923 10.3424 6.16449 6.99865 9.09992 9.75529 numMergedOcc 0
