0 mol 17 unq 0 iso 0 dist 9.5937 6.53817 10.1064 9.78918 14.6638 5.67637 8.32923 16.6413 10.0032 7.82406 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 9.5937 6.53817 10.1064 6.80314 12.7368 4.03817 8.32923 16.6413 10.0032 9.877 numMergedOcc 0
2 mol 17 unq 2 iso 0 dist 9.5937 9.81769 11.3627 9.78918 14.6638 9.78461 8.32923 16.6413 14.4501 7.82406 numMergedOcc 0
3 mol 17 unq 3 iso 0 dist 9.5937 9.81769 11.3627 6.80314 12.7368 5.12703 8.32923 16.6413 14.4501 9.877 numMergedOcc 0
4 mol 17 unq 4 iso 0 dist 7.34681 6.53817 13.5023 9.78918 16.9932 5.67637 8.32923 13.7178 10.0032 7.82406 numMergedOcc 0
5 mol 17 unq 5 iso 0 dist 7.34681 6.53817 13.5023 6.80314 13.5569 4.03817 8.32923 13.7178 10.0032 9.877 numMergedOcc 0
6 mol 17 unq 6 iso 0 dist 7.34681 9.81769 15.703 9.78918 16.9932 9.78461 8.32923 13.7178 14.4501 7.82406 numMergedOcc 0
7 mol 17 unq 7 iso 0 dist 7.34681 9.81769 15.703 6.80314 13.5569 5.12703 8.32923 13.7178 14.4501 9.877 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 5.66803 5.54343 5.9853 9.23947 8.95689 6.21578 5.68492 5.1488 8.68586 9.32552 numMergedOcc 0
9 mol 67 unq 0 iso 0 dist 8.27009 7.9572 10.6864 5.63802 6.56501 10.0069 13.1761 14.7518 17.6487 9.0008 numMergedOcc 0
10 mol 67 unq 1 iso 0 dist 8.27009 7.9572 10.6864 5.63802 6.56501 10.0069 10.6102 14.0792 18.0929 9.77887 numMergedOcc 0
11 mol 67 unq 2 iso 0 dist 8.27009 8.64208 13.0612 5.63802 6.56501 13.6485 13.1761 14.7518 21.662 9.0008 numMergedOcc 0
12 mol 67 unq 3 iso 0 dist 8.27009 8.64208 13.0612 5.63802 6.56501 13.6485 10.6102 14.0792 18.4839 9.77887 numMergedOcc 0
13 mol 67 unq 4 iso 0 dist 5.80736 7.9572 6.3173 5.63802 4.53519 10.0069 13.1761 11.3612 17.6487 9.0008 numMergedOcc 0
14 mol 67 unq 5 iso 0 dist 5.80736 7.9572 6.3173 5.63802 4.53519 10.0069 10.6102 13.148 18.0929 9.77887 numMergedOcc 0
15 mol 67 unq 6 iso 0 dist 5.80736 8.64208 11.8891 5.63802 4.53519 13.6485 13.1761 11.3612 21.662 9.0008 numMergedOcc 0
16 mol 67 unq 7 iso 0 dist 5.80736 8.64208 11.8891 5.63802 4.53519 13.6485 10.6102 13.148 18.4839 9.77887 numMergedOcc 0
17 mol 73 unq 0 iso 0 dist 8.90896 5.79954 4.78435 6.66506 5.00474 5.11416 13.1044 6.96647 8.70133 7.10439 numMergedOcc 0
18 mol 87 unq 0 iso 0 dist 7.57471 6.8014 5.30415 8.59105 4.99645 5.95671 5.5768 9.53368 7.51358 7.2268 numMergedOcc 0
19 mol 87 unq 1 iso 0 dist 7.57471 6.8014 5.30415 8.59105 4.99645 5.95671 4.56692 6.54532 8.93296 8.31175 numMergedOcc 0
20 mol 174 unq 0 iso 0 dist 7.27146 8.4931 4.74974 5.07761 4.80246 7.29873 6.26251 11.8921 13.3636 7.47932 numMergedOcc 0
21 mol 174 unq 1 iso 0 dist 6.25798 8.4931 6.97243 5.07761 9.44119 7.29873 6.26251 12.0957 13.3636 7.47932 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 7.03107 6.6776 4.51101 8.79832 11.4777 8.29015 10.2578 13.8845 9.8589 5.4997 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 6.50756 9.85951 5.55687 8.32948 11.1785 11.5838 6.68039 12.4163 13.6512 6.78758 numMergedOcc 0
24 mol 256 unq 0 iso 0 dist 6.45473 7.54586 4.99605 9.65136 9.83915 10.134 5.34142 9.45135 8.09363 7.48269 numMergedOcc 0
25 mol 284 unq 0 iso 0 dist 7.74965 8.08993 4.76222 4.87349 9.47092 10.6664 5.83318 12.5557 11.1846 6.61376 numMergedOcc 0
26 mol 284 unq 1 iso 0 dist 7.74965 7.34344 13.4636 4.87349 9.47092 4.50325 5.83318 12.5557 4.86729 6.61376 numMergedOcc 0
