0 mol 9 unq 0 iso 0 dist 8.48677 13.4295 8.59513 13.4414 6.59312 5.47 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 8.48677 13.4414 6.59312 13.4295 8.59513 5.47 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.01567 8.92779 7.03544 9.76111 6.93597 9.24588 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 9.01567 9.76111 6.93597 8.92779 7.03544 9.24588 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.4051 6.7846 7.85986 8.03955 4.30252 6.0925 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 8.4051 8.03955 4.30252 6.7846 7.85986 6.0925 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 7.29868 13.7992 7.85986 8.92779 4.30252 6.0925 numMergedOcc 0
7 mol 24 unq 2 iso 1 dist 7.29868 8.92779 4.30252 13.7992 7.85986 6.0925 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 8.60554 13.2846 7.85986 12.3897 4.30252 6.0925 numMergedOcc 0
9 mol 24 unq 3 iso 1 dist 8.60554 12.3897 4.30252 13.2846 7.85986 6.0925 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 9.82915 11.9949 8.04853 13.3089 6.46549 8.06192 numMergedOcc 0
11 mol 85 unq 0 iso 1 dist 9.82915 13.3089 6.46549 11.9949 8.04853 8.06192 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 9.66219 13.0914 5.35711 15.3211 6.23759 7.41778 numMergedOcc 0
13 mol 113 unq 0 iso 1 dist 9.66219 15.3211 6.23759 13.0914 5.35711 7.41778 numMergedOcc 0
14 mol 135 unq 0 iso 0 dist 5.62052 3.78012 8.72359 10.9403 7.02963 14.3156 numMergedOcc 0
15 mol 135 unq 0 iso 1 dist 5.62052 10.9403 7.02963 3.78012 8.72359 14.3156 numMergedOcc 0
16 mol 135 unq 1 iso 0 dist 7.85645 9.62654 8.72359 8.06169 7.02963 14.3156 numMergedOcc 0
17 mol 135 unq 1 iso 1 dist 7.85645 8.06169 7.02963 9.62654 8.72359 14.3156 numMergedOcc 0
18 mol 148 unq 0 iso 0 dist 9.91993 4.73245 9.17462 11.5545 8.74878 10.1972 numMergedOcc 0
19 mol 148 unq 0 iso 1 dist 9.91993 11.5545 8.74878 4.73245 9.17462 10.1972 numMergedOcc 0
20 mol 148 unq 1 iso 0 dist 9.99156 5.38701 9.17462 6.77599 8.74878 10.1972 numMergedOcc 0
21 mol 148 unq 1 iso 1 dist 9.99156 6.77599 8.74878 5.38701 9.17462 10.1972 numMergedOcc 0
22 mol 150 unq 0 iso 0 dist 9.96691 4.73768 9.01668 11.5728 8.74018 10.2556 numMergedOcc 0
23 mol 150 unq 0 iso 1 dist 9.96691 11.5728 8.74018 4.73768 9.01668 10.2556 numMergedOcc 0
24 mol 150 unq 1 iso 0 dist 9.8656 5.46333 9.01668 6.74495 8.74018 10.2556 numMergedOcc 0
25 mol 150 unq 1 iso 1 dist 9.8656 6.74495 8.74018 5.46333 9.01668 10.2556 numMergedOcc 0
26 mol 168 unq 0 iso 0 dist 7.44629 12.7437 6.12453 14.4866 9.87447 5.29906 numMergedOcc 0
27 mol 168 unq 0 iso 1 dist 7.44629 14.4866 9.87447 12.7437 6.12453 5.29906 numMergedOcc 0
28 mol 182 unq 0 iso 0 dist 7.09394 6.45169 9.98182 6.1548 9.02127 9.21043 numMergedOcc 0
29 mol 182 unq 0 iso 1 dist 7.09394 6.1548 9.02127 6.45169 9.98182 9.21043 numMergedOcc 0
30 mol 244 unq 0 iso 0 dist 5.50492 8.49798 9.30179 9.54706 6.10489 11.6206 numMergedOcc 0
31 mol 244 unq 0 iso 1 dist 5.50492 9.54706 6.10489 8.49798 9.30179 11.6206 numMergedOcc 0
32 mol 244 unq 1 iso 0 dist 5.50492 8.49798 9.30179 4.06591 4.4204 9.66017 numMergedOcc 0
33 mol 244 unq 1 iso 1 dist 5.50492 4.06591 4.4204 8.49798 9.30179 9.66017 numMergedOcc 0
34 mol 244 unq 1 iso 0 dist 5.50492 9.54706 6.10489 4.06591 4.4204 5.86449 numMergedOcc 0
35 mol 244 unq 1 iso 1 dist 5.50492 4.06591 4.4204 9.54706 6.10489 5.86449 numMergedOcc 0
36 mol 278 unq 0 iso 0 dist 8.00673 13.7796 8.1769 10.2359 7.1656 4.88683 numMergedOcc 0
37 mol 278 unq 0 iso 1 dist 8.00673 10.2359 7.1656 13.7796 8.1769 4.88683 numMergedOcc 0
38 mol 278 unq 1 iso 0 dist 6.62841 9.26354 8.1769 5.33325 7.1656 4.88683 numMergedOcc 0
39 mol 278 unq 1 iso 1 dist 6.62841 5.33325 7.1656 9.26354 8.1769 4.88683 numMergedOcc 0
