0 mol 7 unq 0 iso 0 dist 8.41173 7.38748 10.1841 6.22892 6.3027 5.0893 12.9957 9.58865 15.1192 10.1204 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.14952 9.02869 8.4061 5.83658 4.92824 5.37308 15.4291 8.77648 9.28571 10.1987 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 8.98466 6.6051 10.763 8.17618 6.89226 6.67154 8.5421 7.96154 13.3275 12.8973 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 9.79426 8.75001 12.053 7.78708 9.55318 5.18509 9.27965 9.55978 15.5374 15.0086 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 9.79426 8.75001 12.053 7.84393 9.84922 12.48 9.27965 9.55978 15.5374 13.7212 numMergedOcc 0
5 mol 30 unq 0 iso 0 dist 7.83595 8.204 10.5615 8.37503 6.40527 11.4088 6.78528 9.72314 13.7912 6.83481 numMergedOcc 0
6 mol 159 unq 0 iso 0 dist 7.60912 9.54337 6.50839 8.55431 8.50143 12.3309 7.03515 9.37342 10.6617 14.5723 numMergedOcc 0
7 mol 159 unq 1 iso 0 dist 7.60912 6.86212 8.83633 8.55431 8.50143 5.10423 7.03515 9.37342 13.3917 14.5723 numMergedOcc 0
8 mol 159 unq 2 iso 0 dist 7.60912 9.9368 13.4546 8.55431 8.50143 7.18851 7.03515 9.37342 16.9296 14.5723 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 7.86207 9.89039 9.09963 8.9077 4.90657 13.6952 11.9931 8.58709 16.6963 6.21273 numMergedOcc 0
10 mol 220 unq 1 iso 0 dist 7.86207 8.57174 14.3078 8.9077 4.90657 13.8822 11.9931 8.58709 18.4836 6.21273 numMergedOcc 0
11 mol 220 unq 2 iso 0 dist 7.57716 6.50756 8.34243 9.85951 9.86723 5.55687 7.52634 9.41713 12.052 16.3217 numMergedOcc 0
12 mol 223 unq 0 iso 0 dist 9.29204 6.97426 4.73988 9.94212 18.385 15.9255 4.68566 9.86372 7.96628 13.4805 numMergedOcc 0
13 mol 223 unq 1 iso 0 dist 9.29204 6.97426 4.73988 7.34316 8.16187 8.64175 4.68566 9.86372 7.96628 11.0403 numMergedOcc 0
14 mol 223 unq 2 iso 0 dist 9.29204 8.87456 8.36102 9.94212 18.385 17.7343 4.68566 9.86372 7.76053 13.4805 numMergedOcc 0
15 mol 223 unq 3 iso 0 dist 9.29204 8.87456 8.36102 7.34316 8.16187 12.9895 4.68566 9.86372 7.76053 11.0403 numMergedOcc 0
16 mol 223 unq 4 iso 0 dist 9.14789 6.97426 4.78255 9.94212 19.0281 15.9255 4.68566 7.70946 7.96628 13.4805 numMergedOcc 0
17 mol 223 unq 5 iso 0 dist 9.14789 6.97426 4.78255 7.34316 11.2364 8.64175 4.68566 7.70946 7.96628 11.0403 numMergedOcc 0
18 mol 223 unq 6 iso 0 dist 9.14789 8.87456 5.43913 9.94212 19.0281 17.7343 4.68566 7.70946 7.76053 13.4805 numMergedOcc 0
19 mol 223 unq 7 iso 0 dist 9.14789 8.87456 5.43913 7.34316 11.2364 12.9895 4.68566 7.70946 7.76053 11.0403 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 6.08181 8.10903 10.8957 9.67877 5.09738 13.3533 11.1086 9.26487 18.7825 11.1385 numMergedOcc 0
21 mol 258 unq 1 iso 0 dist 6.08181 8.10903 10.8957 8.81059 13.8694 5.90131 11.1086 9.26487 18.7825 19.5306 numMergedOcc 0
22 mol 258 unq 2 iso 0 dist 6.08181 8.10903 10.8957 9.12006 14.0402 9.68064 11.1086 9.26487 18.7825 17.8125 numMergedOcc 0
23 mol 258 unq 3 iso 0 dist 6.08181 7.25618 11.0025 9.67877 5.09738 15.0574 11.1086 9.26487 17.1978 11.1385 numMergedOcc 0
24 mol 258 unq 4 iso 0 dist 6.08181 7.25618 11.0025 8.81059 13.8694 4.51422 11.1086 9.26487 17.1978 19.5306 numMergedOcc 0
25 mol 258 unq 5 iso 0 dist 6.08181 7.25618 11.0025 9.12006 14.0402 4.99997 11.1086 9.26487 17.1978 17.8125 numMergedOcc 0
26 mol 258 unq 6 iso 0 dist 7.70189 8.10903 5.27718 9.67877 10.4667 13.3533 5.79358 6.59521 8.73425 12.6095 numMergedOcc 0
27 mol 258 unq 7 iso 0 dist 7.70189 8.10903 5.27718 8.81059 9.22664 5.90131 5.79358 6.59521 8.73425 8.21585 numMergedOcc 0
28 mol 258 unq 8 iso 0 dist 7.70189 8.10903 5.27718 9.12006 13.0489 9.68064 5.79358 6.59521 8.73425 10.6274 numMergedOcc 0
29 mol 258 unq 9 iso 0 dist 7.70189 7.25618 9.46467 9.67877 10.4667 15.0574 5.79358 6.59521 9.65711 12.6095 numMergedOcc 0
30 mol 258 unq 10 iso 0 dist 7.70189 7.25618 9.46467 8.81059 9.22664 4.51422 5.79358 6.59521 9.65711 8.21585 numMergedOcc 0
31 mol 258 unq 11 iso 0 dist 7.70189 7.25618 9.46467 9.12006 13.0489 4.99997 5.79358 6.59521 9.65711 10.6274 numMergedOcc 0
32 mol 261 unq 0 iso 0 dist 6.41477 8.88741 10.1876 7.15785 4.50761 6.43209 5.72823 9.56414 11.9931 9.95681 numMergedOcc 0
33 mol 261 unq 1 iso 0 dist 6.41477 8.88741 10.1876 7.15785 4.50761 6.43209 9.836 9.64886 18.0969 13.5404 numMergedOcc 0
34 mol 261 unq 2 iso 0 dist 6.41477 8.88741 10.1876 9.43169 8.80293 7.78464 5.72823 9.56414 11.9931 9.05762 numMergedOcc 0
35 mol 261 unq 3 iso 0 dist 6.41477 8.88741 10.1876 9.43169 8.80293 7.78464 9.836 9.64886 18.0969 15.6165 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 6.12202 9.34051 10.3702 9.81087 7.96313 7.24261 5.64335 7.59956 14.7727 13.3533 numMergedOcc 0
37 mol 274 unq 1 iso 0 dist 6.12202 9.34051 10.3702 9.81087 7.96313 7.24261 13.0534 8.05503 17.417 12.0756 numMergedOcc 0
38 mol 274 unq 2 iso 0 dist 6.12202 9.34051 10.3702 9.81087 7.96313 7.24261 9.24343 5.59151 11.7974 5.82876 numMergedOcc 0
39 mol 279 unq 0 iso 0 dist 5.78017 8.03486 7.78018 6.47376 5.34376 4.51031 4.77763 8.36655 11.6898 8.68797 numMergedOcc 0
40 mol 279 unq 1 iso 0 dist 8.78203 8.03486 5.38411 6.47376 5.86731 4.51031 12.3869 8.76889 13.774 12.0882 numMergedOcc 0
41 mol 279 unq 2 iso 0 dist 8.78203 8.03486 5.38411 6.47376 5.86731 4.51031 7.27825 7.04397 10.4088 9.65846 numMergedOcc 0
