0 mol 55 unq 0 iso 0 dist 7.66306 4.19247 8.37544 14.4703 9.63353 14.7907 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 7.66306 6.83997 4.92955 14.4703 9.63353 9.78016 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 7.76666 6.11728 5.9644 6.40052 4.92457 6.42684 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 9.85244 13.3885 7.81334 6.93351 6.97741 7.43211 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 7.63894 4.14427 7.86269 14.3504 9.08732 12.2776 numMergedOcc 0
5 mol 90 unq 1 iso 0 dist 6.17315 10.1669 7.86269 13.8307 9.08732 12.2776 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 7.46327 8.74935 8.42713 13.113 6.46217 14.4533 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 7.46327 13.5058 8.21032 13.113 6.46217 3.24551 numMergedOcc 0
8 mol 111 unq 0 iso 0 dist 5.61533 13.8529 9.82548 3.83194 4.72339 14.3069 numMergedOcc 0
9 mol 111 unq 1 iso 0 dist 5.61533 13.8529 9.82548 8.57867 6.48902 11.6056 numMergedOcc 0
10 mol 111 unq 2 iso 0 dist 5.61533 13.8529 9.82548 5.56913 7.21505 10.8119 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 9.60646 15.0837 6.4752 9.43694 7.19893 11.3398 numMergedOcc 0
12 mol 147 unq 1 iso 0 dist 9.60646 15.0837 6.4752 12.442 6.37938 6.78721 numMergedOcc 0
13 mol 151 unq 0 iso 0 dist 8.14552 4.1267 5.87912 7.44732 9.06016 9.75631 numMergedOcc 0
14 mol 151 unq 1 iso 0 dist 8.14552 7.14821 7.06678 7.44732 9.06016 8.95545 numMergedOcc 0
15 mol 151 unq 2 iso 0 dist 6.01918 4.49592 5.87912 12.6611 9.06016 9.75631 numMergedOcc 0
16 mol 151 unq 3 iso 0 dist 6.01918 6.99629 7.06678 12.6611 9.06016 8.95545 numMergedOcc 0
17 mol 163 unq 0 iso 0 dist 7.67051 6.88414 5.80513 4.84658 9.40912 5.5479 numMergedOcc 0
18 mol 163 unq 1 iso 0 dist 9.07256 5.72937 9.3832 5.6495 7.69757 3.65465 numMergedOcc 0
19 mol 163 unq 2 iso 0 dist 9.07256 10.1929 6.0247 5.6495 7.69757 11.458 numMergedOcc 0
20 mol 163 unq 3 iso 0 dist 9.07256 6.65976 6.40873 5.6495 7.69757 9.56095 numMergedOcc 0
21 mol 173 unq 0 iso 0 dist 5.77288 3.95563 5.36078 10.7366 9.02222 12.3916 numMergedOcc 0
22 mol 173 unq 1 iso 0 dist 8.44376 8.4136 5.36078 9.02562 9.02222 12.3916 numMergedOcc 0
23 mol 213 unq 0 iso 0 dist 6.98756 11.0215 8.91912 4.00981 7.79105 12.2295 numMergedOcc 0
24 mol 218 unq 0 iso 0 dist 4.57726 11.1524 9.6309 6.58822 6.62738 8.71194 numMergedOcc 0
25 mol 218 unq 1 iso 0 dist 4.57726 11.1524 9.6309 9.62149 7.13254 5.07361 numMergedOcc 0
26 mol 233 unq 0 iso 0 dist 5.50668 6.63414 8.35521 8.92459 9.2182 10.0947 numMergedOcc 0
27 mol 233 unq 1 iso 0 dist 6.66157 6.16699 8.35521 4.61669 9.2182 10.0947 numMergedOcc 0
