0 mol 15 unq 0 iso 0 dist 9.29358 8.4014 11.1793 6.91314 9.51568 10.3229 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 6.93199 6.09002 4.49303 7.06175 5.9809 7.99756 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 6.93199 6.09002 4.49303 3.79581 5.83917 4.36087 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 6.73162 7.98005 8.62111 7.11305 9.96121 8.97754 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 6.73162 8.31381 9.18438 7.11305 9.96121 13.5629 numMergedOcc 0
5 mol 32 unq 0 iso 0 dist 8.68559 8.91596 4.84198 10.7345 7.11053 8.78511 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 9.20119 8.27463 3.82801 12.466 5.81001 8.91959 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 8.26899 9.4278 13.4402 6.20618 7.60018 13.8891 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 8.26899 9.4278 13.4402 5.61579 7.03126 10.8756 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 8.624 8.26541 10.4337 5.72408 9.37102 13.1776 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 8.624 8.26541 10.4337 3.94376 5.4605 9.92478 numMergedOcc 0
11 mol 72 unq 2 iso 0 dist 8.624 8.26541 10.4337 6.19288 6.53824 8.77831 numMergedOcc 0
12 mol 72 unq 3 iso 0 dist 6.77912 4.86198 10.4337 10.0679 9.37102 13.1776 numMergedOcc 0
13 mol 72 unq 4 iso 0 dist 6.77912 4.86198 10.4337 5.69391 5.4605 9.92478 numMergedOcc 0
14 mol 72 unq 5 iso 0 dist 6.77912 4.86198 10.4337 4.03844 6.53824 8.77831 numMergedOcc 0
15 mol 109 unq 0 iso 0 dist 9.20981 9.63963 12.2227 4.94189 8.38791 13.9863 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 7.39889 4.80684 3.71283 6.30721 6.55202 4.55071 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 7.39889 4.80684 3.71283 14.443 9.08536 12.3503 numMergedOcc 0
18 mol 130 unq 0 iso 0 dist 6.79146 9.81269 9.6361 4.66904 8.9677 13.3448 numMergedOcc 0
19 mol 184 unq 0 iso 0 dist 9.52936 9.84566 4.11581 13.8904 7.59939 11.4796 numMergedOcc 0
20 mol 184 unq 1 iso 0 dist 9.52936 8.22001 12.4034 13.8904 7.59939 19.3206 numMergedOcc 0
21 mol 213 unq 0 iso 0 dist 6.0965 8.82761 14.229 10.1881 8.65196 14.5549 numMergedOcc 0
22 mol 213 unq 1 iso 0 dist 9.59129 8.82761 14.9475 10.1881 5.461 14.5549 numMergedOcc 0
23 mol 218 unq 0 iso 0 dist 7.17547 6.1896 10.7049 15.6802 8.61306 18.2643 numMergedOcc 0
24 mol 218 unq 1 iso 0 dist 7.17547 6.09255 4.36581 15.6802 8.61306 11.3734 numMergedOcc 0
25 mol 228 unq 0 iso 0 dist 9.42615 9.25785 5.63283 10.0586 8.6457 13.0996 numMergedOcc 0
26 mol 228 unq 1 iso 0 dist 9.42615 9.25785 5.63283 4.76982 8.8055 11.3148 numMergedOcc 0
27 mol 228 unq 2 iso 0 dist 8.06181 9.25785 3.65229 9.3302 7.84881 8.92379 numMergedOcc 0
28 mol 228 unq 3 iso 0 dist 7.77367 9.01231 3.62742 9.39743 7.86746 9.06403 numMergedOcc 0
29 mol 228 unq 4 iso 0 dist 9.06121 9.01231 5.34726 9.80263 8.66946 12.7378 numMergedOcc 0
30 mol 228 unq 5 iso 0 dist 9.06121 9.01231 5.34726 4.63053 8.55761 11.0131 numMergedOcc 0
31 mol 235 unq 0 iso 0 dist 9.58736 8.08965 14.2299 13.7306 7.02029 17.3764 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 6.05141 8.94231 3.94343 5.27215 8.69525 9.71857 numMergedOcc 0
33 mol 238 unq 1 iso 0 dist 8.09066 8.88652 3.94343 6.13368 8.69525 9.71857 numMergedOcc 0
34 mol 238 unq 2 iso 0 dist 7.2766 6.46771 3.94343 10.0605 8.69525 9.71857 numMergedOcc 0
35 mol 259 unq 0 iso 0 dist 8.37865 9.18798 10.5148 4.04513 8.84648 12.3781 numMergedOcc 0
36 mol 259 unq 1 iso 0 dist 8.37865 9.18798 10.5148 7.09907 6.23661 12.745 numMergedOcc 0
37 mol 259 unq 2 iso 0 dist 8.37865 8.25897 11.0001 4.04513 8.84648 12.1864 numMergedOcc 0
38 mol 259 unq 3 iso 0 dist 8.37865 8.25897 11.0001 7.09907 6.23661 10.838 numMergedOcc 0
39 mol 270 unq 0 iso 0 dist 8.25349 8.86399 5.8989 6.81241 9.85255 13.6903 numMergedOcc 0
