0 mol 5 unq 0 iso 0 dist 6.04331 4.07788 9.21695 7.44029 12.4227 7.95876 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.9919 7.74667 7.38017 14.1573 5.53745 8.55451 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 9.9919 7.74667 7.38017 12.2973 5.48345 5.8245 numMergedOcc 0
3 mol 13 unq 0 iso 0 dist 5.37391 6.68749 7.39086 9.35481 4.0489 9.45635 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 9.52295 11.8286 9.07906 12.266 11.2174 6.75943 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 7.9399 4.47138 9.854 10.8449 10.4612 9.69044 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 7.70787 10.9651 5.62694 15.4587 8.97954 5.5087 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 7.70787 10.9651 5.62694 12.7234 5.33414 6.08682 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 9.27456 5.8457 8.81824 12.7919 9.85117 7.7068 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 9.10397 3.89035 6.92671 11.2112 3.50258 9.90751 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 9.10397 3.89035 6.92671 10.6609 6.13237 9.21662 numMergedOcc 0
11 mol 127 unq 0 iso 0 dist 9.91321 11.4002 8.17522 14.7894 5.83338 7.79505 numMergedOcc 0
12 mol 127 unq 1 iso 0 dist 9.91321 11.7596 8.14341 14.7894 5.83338 7.36199 numMergedOcc 0
13 mol 132 unq 0 iso 0 dist 5.25894 4.90475 5.36351 10.6383 9.21982 6.89918 numMergedOcc 0
14 mol 144 unq 0 iso 0 dist 6.63308 4.6812 5.81292 7.46026 4.02926 7.64028 numMergedOcc 0
15 mol 152 unq 0 iso 0 dist 9.06801 11.1874 8.86966 12.0918 10.8368 6.70693 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 6.00793 9.57777 6.85239 11.298 6.15234 7.68266 numMergedOcc 0
17 mol 167 unq 1 iso 0 dist 6.00793 9.57777 6.85239 11.5835 5.75062 6.84752 numMergedOcc 0
18 mol 167 unq 2 iso 0 dist 6.00793 8.66436 5.72735 10.7297 6.09401 7.20495 numMergedOcc 0
19 mol 167 unq 3 iso 0 dist 6.00793 8.66436 5.72735 11.298 6.15234 9.2289 numMergedOcc 0
20 mol 167 unq 4 iso 0 dist 6.00793 8.66436 5.72735 11.5835 5.75062 7.02548 numMergedOcc 0
21 mol 175 unq 0 iso 0 dist 8.49856 4.27736 6.62757 13.0422 13.041 9.63417 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 8.71602 4.94882 9.16817 12.6102 12.7415 8.73533 numMergedOcc 0
23 mol 198 unq 0 iso 0 dist 9.7384 4.53957 8.32738 12.2224 6.14929 9.31526 numMergedOcc 0
24 mol 198 unq 1 iso 0 dist 8.89259 7.58207 8.32738 12.5257 6.14929 9.31526 numMergedOcc 0
25 mol 198 unq 2 iso 0 dist 9.95733 10.9414 8.32738 15.0008 6.14929 9.31526 numMergedOcc 0
26 mol 198 unq 3 iso 0 dist 9.72176 10.1361 8.32738 15.2055 6.14929 9.31526 numMergedOcc 0
27 mol 219 unq 0 iso 0 dist 8.15287 5.0241 7.68645 6.52136 6.08582 4.33238 numMergedOcc 0
28 mol 219 unq 1 iso 0 dist 8.15287 4.36122 5.75017 6.52136 6.08582 7.83604 numMergedOcc 0
29 mol 219 unq 2 iso 0 dist 8.72341 14.1934 7.68645 13.239 6.08582 4.33238 numMergedOcc 0
30 mol 219 unq 3 iso 0 dist 8.72341 13.288 5.75017 13.239 6.08582 7.83604 numMergedOcc 0
