0 mol 48 unq 0 iso 0 dist 8.09058 3.63758 7.03832 6.88863 7.16443 5.62671 numMergedOcc 0
1 mol 48 unq 0 iso 1 dist 8.09058 6.88863 7.16443 3.63758 7.03832 5.62671 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.33535 4.63196 8.88313 4.57635 5.48837 5.96988 numMergedOcc 0
3 mol 58 unq 0 iso 1 dist 9.33535 4.57635 5.48837 4.63196 8.88313 5.96988 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 8.26899 8.44881 8.88313 4.25144 5.48837 5.96988 numMergedOcc 0
5 mol 58 unq 1 iso 1 dist 8.26899 4.25144 5.48837 8.44881 8.88313 5.96988 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 6.23899 11.6713 7.92479 3.88148 7.86646 10.472 numMergedOcc 0
7 mol 59 unq 0 iso 1 dist 6.23899 3.88148 7.86646 11.6713 7.92479 10.472 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 8.30646 8.82915 7.03887 6.33118 5.36451 3.24688 numMergedOcc 0
9 mol 78 unq 0 iso 1 dist 8.30646 6.33118 5.36451 8.82915 7.03887 3.24688 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 8.30646 8.82915 7.03887 13.3135 9.28354 4.60796 numMergedOcc 0
11 mol 78 unq 1 iso 1 dist 8.30646 13.3135 9.28354 8.82915 7.03887 4.60796 numMergedOcc 0
12 mol 78 unq 1 iso 0 dist 8.30646 6.33118 5.36451 13.3135 9.28354 7.19832 numMergedOcc 0
13 mol 78 unq 1 iso 1 dist 8.30646 13.3135 9.28354 6.33118 5.36451 7.19832 numMergedOcc 0
14 mol 90 unq 0 iso 0 dist 8.39016 4.79453 6.18681 7.5298 9.33288 5.0846 numMergedOcc 0
15 mol 90 unq 0 iso 1 dist 8.39016 7.5298 9.33288 4.79453 6.18681 5.0846 numMergedOcc 0
16 mol 90 unq 1 iso 0 dist 6.99355 6.34112 6.18681 4.87139 9.33288 5.0846 numMergedOcc 0
17 mol 90 unq 1 iso 1 dist 6.99355 4.87139 9.33288 6.34112 6.18681 5.0846 numMergedOcc 0
18 mol 113 unq 0 iso 0 dist 6.81812 7.84907 5.45882 4.11536 4.57487 3.74304 numMergedOcc 0
19 mol 113 unq 0 iso 1 dist 6.81812 4.11536 4.57487 7.84907 5.45882 3.74304 numMergedOcc 0
20 mol 197 unq 0 iso 0 dist 8.99696 11.9685 9.77656 16.9912 9.6071 9.2162 numMergedOcc 0
21 mol 197 unq 0 iso 1 dist 8.99696 16.9912 9.6071 11.9685 9.77656 9.2162 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 6.77938 5.96249 8.22608 5.97386 5.23503 4.6865 numMergedOcc 0
23 mol 259 unq 0 iso 1 dist 6.77938 5.97386 5.23503 5.96249 8.22608 4.6865 numMergedOcc 0
24 mol 264 unq 0 iso 0 dist 9.5784 11.147 8.56867 10.0018 6.29872 2.95376 numMergedOcc 0
25 mol 264 unq 0 iso 1 dist 9.5784 10.0018 6.29872 11.147 8.56867 2.95376 numMergedOcc 0
26 mol 294 unq 0 iso 0 dist 7.34205 15.321 9.33755 9.80923 6.25334 11.8335 numMergedOcc 0
27 mol 294 unq 0 iso 1 dist 7.34205 9.80923 6.25334 15.321 9.33755 11.8335 numMergedOcc 0
