0 mol 7 unq 0 iso 0 dist 8.41585 6.81066 10.6 9.87885 12.8323 8.80913 13.2247 12.2333 12.7325 6.1206 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 5.73819 9.07906 8.42544 6.75943 4.96926 11.2174 8.13395 10.5523 14.1869 6.6263 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.80331 9.89546 14.0634 6.6263 5.41726 9.05723 8.13395 6.20293 14.792 6.75943 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 6.20293 9.07906 6.09486 6.75943 5.41726 11.2174 8.13395 8.80331 14.1869 6.6263 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 8.93915 9.07906 4.40385 6.75943 10.0383 11.2174 8.13395 14.7803 14.1869 6.6263 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 8.8178 4.69674 5.83438 7.12321 4.27726 6.75732 5.36766 12.8385 9.8133 9.74228 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 8.8178 4.69674 5.83438 7.12321 4.27726 6.75732 8.24309 9.84449 10.2718 6.21799 numMergedOcc 0
7 mol 72 unq 2 iso 0 dist 9.96708 4.69674 11.8198 7.12321 7.47371 6.75732 5.36766 10.8086 9.8133 9.74228 numMergedOcc 0
8 mol 72 unq 3 iso 0 dist 9.96708 4.69674 11.8198 7.12321 7.47371 6.75732 8.24309 9.78528 10.2718 6.21799 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 8.70481 5.62694 10.169 5.5087 11.2069 8.97954 8.07446 16.0098 10.3686 5.61588 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 8.70481 5.62694 10.169 6.08682 10.6713 5.33414 8.07446 16.0098 10.3686 7.83244 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 8.87449 7.69401 9.15224 9.21662 9.39125 15.1364 10.8375 16.1937 18.5047 8.91882 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 8.87449 6.92671 6.92828 9.21662 9.39125 6.13237 10.8375 16.1937 12.7318 8.91882 numMergedOcc 0
13 mol 109 unq 0 iso 0 dist 7.34473 8.43667 6.62208 7.86666 13.0886 9.50699 17.2949 21.5605 16.0249 9.77497 numMergedOcc 0
14 mol 132 unq 0 iso 0 dist 7.7059 5.36351 6.6218 6.89918 12.9631 9.21982 4.35917 11.5751 9.16685 7.89457 numMergedOcc 0
15 mol 152 unq 0 iso 0 dist 5.87555 8.86966 8.18329 6.70693 4.94983 10.8368 7.65448 10.399 13.4958 6.59889 numMergedOcc 0
16 mol 152 unq 1 iso 0 dist 6.70283 8.86966 5.97115 6.70693 5.39112 10.8368 7.65448 8.56324 13.4958 6.59889 numMergedOcc 0
17 mol 152 unq 2 iso 0 dist 8.67331 8.86966 4.36394 6.70693 9.67475 10.8368 7.65448 14.1618 13.4958 6.59889 numMergedOcc 0
18 mol 167 unq 0 iso 0 dist 9.87651 5.72735 6.38496 9.2289 12.0033 6.15234 4.70068 12.4733 6.85239 7.68266 numMergedOcc 0
19 mol 167 unq 1 iso 0 dist 9.87651 5.72735 6.38496 9.2289 12.0033 6.15234 10.3445 17.5366 11.1937 7.6616 numMergedOcc 0
20 mol 167 unq 2 iso 0 dist 9.87651 5.72735 6.38496 7.02548 11.6011 5.75062 4.70068 12.4733 6.85239 6.84752 numMergedOcc 0
21 mol 167 unq 3 iso 0 dist 9.87651 5.72735 6.38496 7.02548 11.6011 5.75062 10.3445 17.5366 11.1937 7.86563 numMergedOcc 0
22 mol 192 unq 0 iso 0 dist 5.59424 8.63044 10.375 5.64942 6.35474 10.8255 5.76246 7.00794 14.2991 6.97962 numMergedOcc 0
23 mol 192 unq 1 iso 0 dist 5.59424 8.63044 10.375 7.43054 5.25965 12.9782 5.76246 7.00794 14.2991 6.79229 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 6.61986 7.80754 4.32714 8.08349 5.13732 9.06907 10.3613 13.4025 16.4363 9.78218 numMergedOcc 0
25 mol 224 unq 1 iso 0 dist 6.61986 8.20295 8.95149 8.08349 5.13732 13.4882 10.3613 13.4025 18.4475 9.78218 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 9.7748 6.64082 10.9417 8.9682 17.6038 14.6245 11.8268 21.4606 13.1568 9.57499 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 9.7748 6.64082 10.9417 8.9682 17.6038 14.6245 7.08227 16.3537 11.3697 5.46926 numMergedOcc 0
28 mol 277 unq 2 iso 0 dist 9.7748 6.64082 10.9417 6.92711 14.772 13.2277 7.08227 16.3537 11.3697 5.13913 numMergedOcc 0
