0 mol 9 unq 0 iso 0 dist 8.77074 6.21955 7.38646 11.1449 4.74921 6.89784 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.46609 5.36736 9.97991 9.54853 9.41425 5.60099 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 6.12212 8.99138 8.62842 6.18479 8.55553 14.5003 numMergedOcc 0
3 mol 39 unq 1 iso 0 dist 6.12212 8.99138 8.62842 3.81369 5.00813 7.07118 numMergedOcc 0
4 mol 39 unq 2 iso 0 dist 6.12212 8.93137 8.27298 6.18479 8.55553 14.3541 numMergedOcc 0
5 mol 39 unq 3 iso 0 dist 6.12212 8.93137 8.27298 3.81369 5.00813 9.43746 numMergedOcc 0
6 mol 39 unq 4 iso 0 dist 6.12212 7.98431 8.56111 6.18479 8.55553 11.9159 numMergedOcc 0
7 mol 39 unq 5 iso 0 dist 6.12212 7.98431 8.56111 3.81369 5.00813 10.3308 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.53468 14.5223 8.0534 12.7709 8.59337 10.3098 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 6.53468 14.5223 8.0534 13.1304 7.66942 6.35914 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 5.90954 11.7502 8.0534 7.78675 8.59337 10.3098 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 5.90954 11.7502 8.0534 7.76917 7.66942 6.35914 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 8.42713 12.7083 5.89661 14.4533 6.46217 5.35225 numMergedOcc 0
13 mol 93 unq 1 iso 0 dist 8.21032 7.44572 5.89661 3.24551 6.46217 5.35225 numMergedOcc 0
14 mol 111 unq 0 iso 0 dist 9.82548 5.8926 4.86701 14.3069 4.72339 9.05868 numMergedOcc 0
15 mol 111 unq 1 iso 0 dist 9.82548 5.8926 4.86701 11.6056 6.48902 6.41502 numMergedOcc 0
16 mol 111 unq 2 iso 0 dist 9.82548 5.8926 4.86701 10.8119 7.21505 9.16288 numMergedOcc 0
17 mol 147 unq 0 iso 0 dist 6.4752 14.5183 9.95533 11.3398 7.19893 4.60169 numMergedOcc 0
18 mol 147 unq 1 iso 0 dist 6.4752 14.5183 9.95533 6.78721 6.37938 9.0113 numMergedOcc 0
19 mol 147 unq 2 iso 0 dist 6.4752 13.8716 7.94147 11.3398 7.19893 11.3679 numMergedOcc 0
20 mol 147 unq 3 iso 0 dist 6.4752 13.8716 7.94147 6.78721 6.37938 13.5566 numMergedOcc 0
21 mol 163 unq 0 iso 0 dist 9.3832 17.4608 8.67619 3.65465 7.69757 14.7667 numMergedOcc 0
22 mol 163 unq 1 iso 0 dist 6.0247 7.1643 8.67619 11.458 7.69757 14.7667 numMergedOcc 0
23 mol 163 unq 2 iso 0 dist 6.40873 11.2768 8.67619 9.56095 7.69757 14.7667 numMergedOcc 0
24 mol 173 unq 0 iso 0 dist 5.36078 8.46059 8.44479 12.3916 9.02222 6.72353 numMergedOcc 0
25 mol 173 unq 1 iso 0 dist 5.36078 11.3004 9.00002 12.3916 9.02222 12.3835 numMergedOcc 0
26 mol 250 unq 0 iso 0 dist 9.43554 11.3347 9.84682 7.81555 7.5999 4.73998 numMergedOcc 0
27 mol 250 unq 1 iso 0 dist 9.43554 11.3347 9.84682 9.41799 9.50976 6.78967 numMergedOcc 0
28 mol 250 unq 2 iso 0 dist 9.43554 14.0873 8.26719 7.81555 7.5999 14.6394 numMergedOcc 0
29 mol 250 unq 3 iso 0 dist 9.43554 14.0873 8.26719 9.41799 9.50976 11.4275 numMergedOcc 0
30 mol 250 unq 4 iso 0 dist 9.21681 17.9595 9.84682 16.7301 7.5999 4.73998 numMergedOcc 0
31 mol 250 unq 5 iso 0 dist 9.21681 17.9595 9.84682 16.2129 9.50976 6.78967 numMergedOcc 0
32 mol 250 unq 6 iso 0 dist 9.21681 6.37495 8.26719 16.7301 7.5999 14.6394 numMergedOcc 0
33 mol 250 unq 7 iso 0 dist 9.21681 6.37495 8.26719 16.2129 9.50976 11.4275 numMergedOcc 0
34 mol 252 unq 0 iso 0 dist 9.81593 12.5748 6.97105 18.713 9.76731 12.0895 numMergedOcc 0
35 mol 252 unq 1 iso 0 dist 9.81593 12.5748 6.97105 15.0079 8.38599 8.31743 numMergedOcc 0
36 mol 252 unq 2 iso 0 dist 9.78248 10.0697 6.97105 3.91004 9.76731 12.0895 numMergedOcc 0
37 mol 252 unq 3 iso 0 dist 9.78248 10.0697 6.97105 3.76825 8.38599 8.31743 numMergedOcc 0
38 mol 286 unq 0 iso 0 dist 7.77655 8.73339 6.99185 3.85003 7.43339 6.08911 numMergedOcc 0
