0 mol 7 unq 0 iso 0 dist 7.21217 6.09254 7.10621 5.07985 6.1206 7.12508 13.2513 13.2247 10.5461 9.87885 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 7.45487 5.43751 9.62879 9.29802 9.01112 7.12261 13.9525 10.9495 10.9634 6.56356 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 7.45487 5.43751 9.62879 9.29802 9.01112 7.12261 11.9557 6.23795 12.4058 7.62333 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 5.84479 5.35079 6.31718 6.04677 8.43054 4.65873 9.18436 6.92781 5.05803 6.57331 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 5.84479 6.53177 7.63133 6.04677 8.43054 9.81307 9.18436 6.92781 12.5273 6.57331 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 7.84983 11.5882 6.62496 5.04521 9.22598 9.87158 9.56737 4.81926 6.35756 8.96727 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 9.56737 11.5882 6.35756 5.04521 8.96727 9.87158 7.84983 4.81926 6.62496 9.22598 numMergedOcc 0
7 mol 60 unq 0 iso 0 dist 5.83937 6.62193 6.65595 12.0661 7.57295 7.80499 11.1212 5.67502 11.1899 8.4312 numMergedOcc 0
8 mol 60 unq 1 iso 0 dist 5.83937 6.62193 6.65595 12.0661 7.57295 7.80499 10.9217 6.54743 8.90863 7.48086 numMergedOcc 0
9 mol 60 unq 2 iso 0 dist 5.83937 10.9885 9.25011 12.0661 7.57295 5.6397 11.1212 5.67502 12.4656 8.4312 numMergedOcc 0
10 mol 60 unq 3 iso 0 dist 5.83937 10.9885 9.25011 12.0661 7.57295 5.6397 10.9217 6.54743 10.0828 7.48086 numMergedOcc 0
11 mol 60 unq 4 iso 0 dist 5.83937 9.96073 6.43294 12.0661 7.57295 8.62476 11.1212 5.67502 8.7531 8.4312 numMergedOcc 0
12 mol 60 unq 5 iso 0 dist 5.83937 9.96073 6.43294 12.0661 7.57295 8.62476 10.9217 6.54743 11.5843 7.48086 numMergedOcc 0
13 mol 60 unq 6 iso 0 dist 5.83937 11.2445 8.52121 12.0661 7.57295 6.55502 11.1212 5.67502 11.6311 8.4312 numMergedOcc 0
14 mol 60 unq 7 iso 0 dist 5.83937 11.2445 8.52121 12.0661 7.57295 6.55502 10.9217 6.54743 12.4757 7.48086 numMergedOcc 0
15 mol 60 unq 8 iso 0 dist 8.82095 5.63638 6.65595 7.32774 7.57295 7.80499 10.5768 5.67502 11.1899 8.4312 numMergedOcc 0
16 mol 60 unq 9 iso 0 dist 8.82095 5.63638 6.65595 7.32774 7.57295 7.80499 6.27749 6.54743 8.90863 7.48086 numMergedOcc 0
17 mol 60 unq 10 iso 0 dist 8.82095 5.95814 9.25011 7.32774 7.57295 5.6397 10.5768 5.67502 12.4656 8.4312 numMergedOcc 0
18 mol 60 unq 11 iso 0 dist 8.82095 5.95814 9.25011 7.32774 7.57295 5.6397 6.27749 6.54743 10.0828 7.48086 numMergedOcc 0
19 mol 60 unq 12 iso 0 dist 8.82095 13.6099 6.43294 7.32774 7.57295 8.62476 10.5768 5.67502 8.7531 8.4312 numMergedOcc 0
20 mol 60 unq 13 iso 0 dist 8.82095 13.6099 6.43294 7.32774 7.57295 8.62476 6.27749 6.54743 11.5843 7.48086 numMergedOcc 0
21 mol 60 unq 14 iso 0 dist 8.82095 12.0142 8.52121 7.32774 7.57295 6.55502 10.5768 5.67502 11.6311 8.4312 numMergedOcc 0
22 mol 60 unq 15 iso 0 dist 8.82095 12.0142 8.52121 7.32774 7.57295 6.55502 6.27749 6.54743 12.4757 7.48086 numMergedOcc 0
23 mol 60 unq 16 iso 0 dist 6.27749 5.63638 8.90863 7.32774 7.48086 7.80499 8.82095 6.54743 6.65595 7.57295 numMergedOcc 0
24 mol 60 unq 17 iso 0 dist 6.27749 5.63638 8.90863 7.32774 7.48086 7.80499 10.5768 5.00018 11.1899 8.4312 numMergedOcc 0
25 mol 109 unq 0 iso 0 dist 8.21889 5.5332 7.34473 14.5244 7.86666 13.0886 22.3783 17.2949 21.5605 9.77497 numMergedOcc 0
26 mol 119 unq 0 iso 0 dist 6.49205 5.19198 6.18601 8.22696 8.95212 4.39676 12.6552 10.9871 10.1813 6.99446 numMergedOcc 0
27 mol 119 unq 1 iso 0 dist 6.49205 5.19198 6.18601 8.22696 8.95212 4.39676 10.0583 9.93257 9.72413 7.64052 numMergedOcc 0
28 mol 119 unq 2 iso 0 dist 9.42766 14.0677 8.73993 16.57 7.64052 9.68677 15.6032 9.93257 16.4353 8.95212 numMergedOcc 0
29 mol 119 unq 3 iso 0 dist 9.42766 14.0677 8.73993 16.57 7.64052 9.68677 13.6653 4.85907 10.3704 6.99446 numMergedOcc 0
30 mol 142 unq 0 iso 0 dist 7.57458 13.1936 9.2313 9.23267 7.81207 4.67662 10.5524 5.32922 5.31024 6.14151 numMergedOcc 0
31 mol 142 unq 1 iso 0 dist 7.57458 12.288 7.73169 9.23267 7.81207 5.81599 10.5524 5.32922 7.26382 6.14151 numMergedOcc 0
32 mol 142 unq 2 iso 0 dist 7.57458 14.2067 8.96657 9.23267 7.81207 11.1 10.5524 5.32922 11.0824 6.14151 numMergedOcc 0
33 mol 152 unq 0 iso 0 dist 8.89982 13.2491 8.56324 9.0696 6.59889 5.39112 14.5119 7.65448 6.70283 6.70693 numMergedOcc 0
34 mol 224 unq 0 iso 0 dist 9.75313 6.46679 6.61986 3.56689 8.08349 5.13732 11.1179 10.3613 13.4025 9.78218 numMergedOcc 0
35 mol 224 unq 1 iso 0 dist 6.08709 7.85135 6.61986 11.4272 8.08349 5.13732 15.5817 10.3613 13.4025 9.78218 numMergedOcc 0
36 mol 224 unq 2 iso 0 dist 9.79616 5.63485 6.57273 12.65 8.79428 7.05804 14.828 6.77699 10.103 6.99769 numMergedOcc 0
37 mol 224 unq 3 iso 0 dist 9.79616 5.63485 6.57273 12.65 8.79428 7.05804 10.0081 8.49799 5.78342 6.8692 numMergedOcc 0
38 mol 224 unq 4 iso 0 dist 9.79616 9.36962 6.60589 12.65 8.79428 5.76843 14.828 6.77699 6.65832 6.99769 numMergedOcc 0
39 mol 224 unq 5 iso 0 dist 9.79616 9.36962 6.60589 12.65 8.79428 5.76843 10.0081 8.49799 9.16166 6.8692 numMergedOcc 0
40 mol 224 unq 6 iso 0 dist 9.29703 4.8786 5.78342 9.56183 6.8692 7.05804 13.5897 11.328 10.103 6.99769 numMergedOcc 0
41 mol 224 unq 7 iso 0 dist 9.29703 4.8786 5.78342 9.56183 6.8692 7.05804 11.1052 8.49799 6.57273 8.79428 numMergedOcc 0
42 mol 224 unq 8 iso 0 dist 9.29703 7.18448 9.16166 9.56183 6.8692 5.76843 13.5897 11.328 6.65832 6.99769 numMergedOcc 0
43 mol 224 unq 9 iso 0 dist 9.29703 7.18448 9.16166 9.56183 6.8692 5.76843 11.1052 8.49799 6.60589 8.79428 numMergedOcc 0
44 mol 224 unq 10 iso 0 dist 9.29703 6.38066 5.81334 9.56183 6.8692 4.54188 13.5897 11.328 10.9745 6.99769 numMergedOcc 0
45 mol 224 unq 11 iso 0 dist 9.29703 6.38066 5.81334 9.56183 6.8692 4.54188 11.1052 8.49799 10.5128 8.79428 numMergedOcc 0
46 mol 238 unq 0 iso 0 dist 5.24313 12.1448 7.31233 12.4194 9.12776 10.3162 16.0821 15.7907 19.5656 9.72188 numMergedOcc 0
47 mol 238 unq 1 iso 0 dist 9.31417 6.62361 5.72887 13.338 9.72188 7.06793 21.1413 15.7907 14.6111 9.12776 numMergedOcc 0
48 mol 238 unq 2 iso 0 dist 5.56719 5.96552 5.72887 12.046 9.72188 7.06793 19.8325 15.7907 14.6111 9.12776 numMergedOcc 0
49 mol 259 unq 0 iso 0 dist 6.77279 7.55268 8.53687 9.90573 9.07743 6.73882 9.58006 4.69778 10.5767 7.66153 numMergedOcc 0
50 mol 259 unq 1 iso 0 dist 6.77279 5.71237 8.13497 9.90573 9.07743 8.8603 9.58006 4.69778 7.88519 7.66153 numMergedOcc 0
51 mol 259 unq 2 iso 0 dist 9.58006 5.71237 7.88519 9.90573 7.66153 8.8603 6.77279 4.69778 8.13497 9.07743 numMergedOcc 0
52 mol 259 unq 3 iso 0 dist 9.58006 9.10984 7.84554 9.90573 7.66153 5.8801 6.77279 4.69778 9.95973 9.07743 numMergedOcc 0
53 mol 259 unq 4 iso 0 dist 9.58006 11.8501 7.46176 9.90573 7.66153 11.8896 6.77279 4.69778 10.3935 9.07743 numMergedOcc 0
54 mol 259 unq 5 iso 0 dist 9.58006 13.9868 9.18903 9.90573 7.66153 5.81576 6.77279 4.69778 12.6839 9.07743 numMergedOcc 0
55 mol 259 unq 6 iso 0 dist 7.93997 14.8465 7.46176 7.06301 5.85442 10.067 9.52383 9.98105 12.0576 6.9899 numMergedOcc 0
56 mol 259 unq 7 iso 0 dist 7.93997 14.8465 7.46176 7.80863 6.95511 11.6988 13.8509 6.96053 7.88519 9.46361 numMergedOcc 0
57 mol 277 unq 0 iso 0 dist 6.90434 13.2927 9.7748 13.3706 8.9682 17.6038 10.9325 11.8268 21.4606 9.57499 numMergedOcc 0
58 mol 277 unq 1 iso 0 dist 6.90434 13.2927 9.7748 13.3706 8.9682 17.6038 9.02914 7.08227 16.3537 5.46926 numMergedOcc 0
59 mol 277 unq 2 iso 0 dist 6.90434 13.2927 9.7748 12.1739 6.92711 14.772 9.02914 7.08227 16.3537 5.13913 numMergedOcc 0
60 mol 280 unq 0 iso 0 dist 8.85762 4.95798 6.0664 7.42656 6.86234 4.90315 11.1402 5.51836 6.53701 6.02353 numMergedOcc 0
