0 mol 69 unq 0 iso 0 dist 8.71627 4.59504 7.04352 8.3355 9.70189 11.1718 numMergedOcc 0
1 mol 94 unq 0 iso 0 dist 6.64613 4.7907 8.3586 9.50524 7.38914 10.0455 numMergedOcc 0
2 mol 105 unq 0 iso 0 dist 8.32431 10.5413 8.36733 4.38539 6.52726 6.25861 numMergedOcc 0
3 mol 105 unq 1 iso 0 dist 8.32431 10.5413 8.36733 14.9086 9.12363 5.88211 numMergedOcc 0
4 mol 105 unq 2 iso 0 dist 8.32431 10.5413 8.36733 14.3855 6.50017 9.02292 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 9.6785 9.04668 6.96442 14.2288 8.87941 5.37729 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 5.43229 5.98221 7.76729 5.42714 7.99631 6.34759 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 5.43229 5.98221 7.76729 10.4008 6.40036 10.2377 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.59094 11.0811 7.92688 15.9809 9.94276 11.8989 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 9.59094 11.0811 7.92688 16.8354 9.05357 15.0734 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 9.59094 11.0811 7.92688 9.0998 5.99299 9.58627 numMergedOcc 0
11 mol 140 unq 0 iso 0 dist 9.7944 10.2481 6.95323 6.60552 5.63811 6.69673 numMergedOcc 0
12 mol 140 unq 1 iso 0 dist 9.7944 10.2481 6.95323 11.7922 7.49546 5.58533 numMergedOcc 0
13 mol 140 unq 2 iso 0 dist 9.7944 7.49203 7.27371 6.60552 5.63811 8.17877 numMergedOcc 0
14 mol 140 unq 3 iso 0 dist 9.7944 7.49203 7.27371 11.7922 7.49546 4.6872 numMergedOcc 0
15 mol 140 unq 4 iso 0 dist 9.38836 5.73219 6.95323 10.471 5.63811 6.69673 numMergedOcc 0
16 mol 140 unq 5 iso 0 dist 9.38836 5.73219 6.95323 8.69743 7.49546 5.58533 numMergedOcc 0
17 mol 140 unq 6 iso 0 dist 9.38836 11.5485 7.27371 10.471 5.63811 8.17877 numMergedOcc 0
18 mol 140 unq 7 iso 0 dist 9.38836 11.5485 7.27371 8.69743 7.49546 4.6872 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 9.20864 13.9921 6.95408 12.4037 6.41318 7.11879 numMergedOcc 0
20 mol 194 unq 1 iso 0 dist 9.20864 10.0058 9.57538 12.4037 6.41318 8.89656 numMergedOcc 0
21 mol 194 unq 2 iso 0 dist 9.20864 7.93019 9.2285 12.4037 6.41318 7.8502 numMergedOcc 0
22 mol 194 unq 3 iso 0 dist 9.20864 5.58057 7.58278 12.4037 6.41318 7.82648 numMergedOcc 0
23 mol 213 unq 0 iso 0 dist 6.38872 7.17515 8.45368 11.3402 8.74171 11.1059 numMergedOcc 0
24 mol 213 unq 1 iso 0 dist 6.38872 7.18317 9.59129 11.3402 8.74171 12.2579 numMergedOcc 0
25 mol 218 unq 0 iso 0 dist 5.66171 12.0404 7.17547 11.8596 8.57853 4.54272 numMergedOcc 0
26 mol 218 unq 1 iso 0 dist 5.66171 12.0404 7.17547 5.5349 6.75035 10.2673 numMergedOcc 0
27 mol 218 unq 2 iso 0 dist 5.66171 7.82717 7.13323 11.8596 8.57853 6.8949 numMergedOcc 0
28 mol 218 unq 3 iso 0 dist 5.66171 7.82717 7.13323 5.5349 6.75035 6.60235 numMergedOcc 0
29 mol 225 unq 0 iso 0 dist 6.31342 6.9955 5.50387 14.3602 8.75834 10.7506 numMergedOcc 0
30 mol 225 unq 1 iso 0 dist 6.31342 6.9955 5.50387 10.1591 9.36396 7.12954 numMergedOcc 0
31 mol 228 unq 0 iso 0 dist 9.79291 11.2222 9.06121 6.50793 7.09766 4.75417 numMergedOcc 0
32 mol 233 unq 0 iso 0 dist 5.34745 11.2101 9.43203 9.82235 9.2911 4.53103 numMergedOcc 0
33 mol 233 unq 1 iso 0 dist 7.99897 11.5105 9.43203 14.1121 9.2911 4.53103 numMergedOcc 0
34 mol 233 unq 2 iso 0 dist 8.98366 6.54297 9.43203 4.37624 9.2911 4.53103 numMergedOcc 0
35 mol 234 unq 0 iso 0 dist 7.54327 5.28657 6.16063 9.68695 8.49841 5.9221 numMergedOcc 0
36 mol 235 unq 0 iso 0 dist 6.43838 5.06584 5.65339 5.61388 7.27958 6.43692 numMergedOcc 0
37 mol 238 unq 0 iso 0 dist 9.07397 14.2669 7.67322 6.0873 6.5772 8.82861 numMergedOcc 0
38 mol 238 unq 1 iso 0 dist 8.91763 12.0885 7.67322 14.6519 6.5772 8.82861 numMergedOcc 0
39 mol 238 unq 2 iso 0 dist 6.19297 11.4969 9.90142 6.0873 8.70193 15.7973 numMergedOcc 0
40 mol 238 unq 3 iso 0 dist 6.19297 6.33281 5.9216 6.0873 8.70193 10.438 numMergedOcc 0
41 mol 238 unq 4 iso 0 dist 9.3099 11.1632 9.90142 16.0659 8.70193 15.7973 numMergedOcc 0
42 mol 238 unq 5 iso 0 dist 9.3099 11.0996 5.9216 16.0659 8.70193 10.438 numMergedOcc 0
43 mol 272 unq 0 iso 0 dist 6.27189 9.92738 7.67853 5.34124 6.75716 5.7074 numMergedOcc 0
44 mol 274 unq 0 iso 0 dist 8.8896 7.62102 6.50589 11.6682 8.49866 5.31116 numMergedOcc 0
45 mol 274 unq 1 iso 0 dist 8.38395 6.45522 9.19234 15.7916 8.49866 14.168 numMergedOcc 0
46 mol 294 unq 0 iso 0 dist 7.86196 9.62211 9.03492 12.784 7.72845 6.46298 numMergedOcc 0
