0 mol 28 unq 0 iso 0 dist 6.62196 6.51048 5.47728 4.18951 5.39651 3.0988 numMergedOcc 0
1 mol 28 unq 0 iso 1 dist 6.62196 4.18951 5.39651 6.51048 5.47728 3.0988 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 8.62842 14.5003 8.55553 7.07118 5.00813 7.67651 numMergedOcc 0
3 mol 39 unq 0 iso 1 dist 8.62842 7.07118 5.00813 14.5003 8.55553 7.67651 numMergedOcc 0
4 mol 39 unq 1 iso 0 dist 8.27298 14.3541 8.55553 9.43746 5.00813 7.67651 numMergedOcc 0
5 mol 39 unq 1 iso 1 dist 8.27298 9.43746 5.00813 14.3541 8.55553 7.67651 numMergedOcc 0
6 mol 39 unq 2 iso 0 dist 8.56111 11.9159 8.55553 10.3308 5.00813 7.67651 numMergedOcc 0
7 mol 39 unq 2 iso 1 dist 8.56111 10.3308 5.00813 11.9159 8.55553 7.67651 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 8.0534 10.3098 8.59337 6.35914 7.66942 8.86418 numMergedOcc 0
9 mol 73 unq 0 iso 1 dist 8.0534 6.35914 7.66942 10.3098 8.59337 8.86418 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 4.86701 9.05868 4.72339 6.41502 6.48902 6.94371 numMergedOcc 0
11 mol 111 unq 0 iso 1 dist 4.86701 6.41502 6.48902 9.05868 4.72339 6.94371 numMergedOcc 0
12 mol 111 unq 1 iso 0 dist 4.86701 9.05868 4.72339 9.16288 7.21505 8.72808 numMergedOcc 0
13 mol 111 unq 1 iso 1 dist 4.86701 9.16288 7.21505 9.05868 4.72339 8.72808 numMergedOcc 0
14 mol 111 unq 1 iso 0 dist 4.86701 6.41502 6.48902 9.16288 7.21505 10.4972 numMergedOcc 0
15 mol 111 unq 1 iso 1 dist 4.86701 9.16288 7.21505 6.41502 6.48902 10.4972 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 5.67716 6.27339 5.4206 6.13658 9.56763 5.71798 numMergedOcc 0
17 mol 141 unq 0 iso 1 dist 5.67716 6.13658 9.56763 6.27339 5.4206 5.71798 numMergedOcc 0
18 mol 147 unq 0 iso 0 dist 9.95533 4.60169 7.19893 9.0113 6.37938 5.61172 numMergedOcc 0
19 mol 147 unq 0 iso 1 dist 9.95533 9.0113 6.37938 4.60169 7.19893 5.61172 numMergedOcc 0
20 mol 147 unq 1 iso 0 dist 7.94147 11.3679 7.19893 13.5566 6.37938 5.61172 numMergedOcc 0
21 mol 147 unq 1 iso 1 dist 7.94147 13.5566 6.37938 11.3679 7.19893 5.61172 numMergedOcc 0
22 mol 152 unq 0 iso 0 dist 7.27943 4.52353 5.42715 6.79695 9.70575 6.01609 numMergedOcc 0
23 mol 152 unq 0 iso 1 dist 7.27943 6.79695 9.70575 4.52353 5.42715 6.01609 numMergedOcc 0
24 mol 250 unq 0 iso 0 dist 9.84682 4.73998 7.5999 6.78967 9.50976 8.07034 numMergedOcc 0
25 mol 250 unq 0 iso 1 dist 9.84682 6.78967 9.50976 4.73998 7.5999 8.07034 numMergedOcc 0
26 mol 250 unq 1 iso 0 dist 8.26719 14.6394 7.5999 11.4275 9.50976 8.07034 numMergedOcc 0
27 mol 250 unq 1 iso 1 dist 8.26719 11.4275 9.50976 14.6394 7.5999 8.07034 numMergedOcc 0
28 mol 252 unq 0 iso 0 dist 6.97105 12.0895 9.76731 8.31743 8.38599 6.82915 numMergedOcc 0
29 mol 252 unq 0 iso 1 dist 6.97105 8.31743 8.38599 12.0895 9.76731 6.82915 numMergedOcc 0
30 mol 253 unq 0 iso 0 dist 8.72947 3.99655 9.86765 5.37143 6.3738 5.35859 numMergedOcc 0
31 mol 253 unq 0 iso 1 dist 8.72947 5.37143 6.3738 3.99655 9.86765 5.35859 numMergedOcc 0
