0 mol 28 unq 0 iso 0 dist 9.6867 10.8781 5.38074 7.431 6.31089 4.15828 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 5.13138 10.8781 9.07545 7.431 7.07502 4.15828 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 9.60216 5.56363 6.77538 8.11492 8.48468 4.15828 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 7.61351 8.55448 6.77538 10.1563 8.48468 4.15828 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 9.6147 10.1348 6.77538 8.04432 8.48468 4.15828 numMergedOcc 0
5 mol 39 unq 0 iso 0 dist 8.62842 12.6438 8.19733 14.5003 8.55553 11.2159 numMergedOcc 0
6 mol 39 unq 1 iso 0 dist 8.62842 12.6438 8.19733 7.07118 5.00813 8.56189 numMergedOcc 0
7 mol 39 unq 2 iso 0 dist 8.62842 7.19373 8.57165 14.5003 8.55553 11.4688 numMergedOcc 0
8 mol 39 unq 3 iso 0 dist 8.62842 7.19373 8.57165 7.07118 5.00813 7.29013 numMergedOcc 0
9 mol 39 unq 4 iso 0 dist 8.27298 15.6407 8.19733 14.3541 8.55553 11.2159 numMergedOcc 0
10 mol 39 unq 5 iso 0 dist 8.27298 15.6407 8.19733 9.43746 5.00813 8.56189 numMergedOcc 0
11 mol 39 unq 6 iso 0 dist 8.27298 5.14632 8.57165 14.3541 8.55553 11.4688 numMergedOcc 0
12 mol 39 unq 7 iso 0 dist 8.27298 5.14632 8.57165 9.43746 5.00813 7.29013 numMergedOcc 0
13 mol 39 unq 8 iso 0 dist 8.56111 16.7059 8.19733 11.9159 8.55553 11.2159 numMergedOcc 0
14 mol 39 unq 9 iso 0 dist 8.56111 16.7059 8.19733 10.3308 5.00813 8.56189 numMergedOcc 0
15 mol 39 unq 10 iso 0 dist 8.56111 5.90834 8.57165 11.9159 8.55553 11.4688 numMergedOcc 0
16 mol 39 unq 11 iso 0 dist 8.56111 5.90834 8.57165 10.3308 5.00813 7.29013 numMergedOcc 0
17 mol 93 unq 0 iso 0 dist 5.89661 11.2152 7.85041 5.35225 6.46217 11.5028 numMergedOcc 0
18 mol 111 unq 0 iso 0 dist 4.86701 9.57451 7.92876 9.05868 4.72339 6.10261 numMergedOcc 0
19 mol 111 unq 1 iso 0 dist 4.86701 9.57451 7.92876 6.41502 6.48902 4.42903 numMergedOcc 0
20 mol 111 unq 2 iso 0 dist 4.86701 9.57451 7.92876 9.16288 7.21505 13.0195 numMergedOcc 0
21 mol 147 unq 0 iso 0 dist 9.95533 10.6903 5.1101 4.60169 7.19893 7.97454 numMergedOcc 0
22 mol 147 unq 1 iso 0 dist 9.95533 10.6903 5.1101 9.0113 6.37938 3.547 numMergedOcc 0
23 mol 147 unq 2 iso 0 dist 9.95533 15.5982 7.01133 4.60169 7.19893 13.3536 numMergedOcc 0
24 mol 147 unq 3 iso 0 dist 9.95533 15.5982 7.01133 9.0113 6.37938 9.88741 numMergedOcc 0
25 mol 147 unq 4 iso 0 dist 7.94147 12.5048 5.1101 11.3679 7.19893 7.97454 numMergedOcc 0
26 mol 147 unq 5 iso 0 dist 7.94147 12.5048 5.1101 13.5566 6.37938 3.547 numMergedOcc 0
27 mol 147 unq 6 iso 0 dist 7.94147 12.2623 7.01133 11.3679 7.19893 13.3536 numMergedOcc 0
28 mol 147 unq 7 iso 0 dist 7.94147 12.2623 7.01133 13.5566 6.37938 9.88741 numMergedOcc 0
29 mol 163 unq 0 iso 0 dist 8.67619 5.51913 8.21476 14.7667 7.69757 11.6682 numMergedOcc 0
30 mol 163 unq 1 iso 0 dist 8.67619 11.5521 7.66897 14.7667 7.69757 7.1982 numMergedOcc 0
31 mol 234 unq 0 iso 0 dist 9.2457 12.7871 9.06084 8.41106 6.58003 6.12476 numMergedOcc 0
32 mol 250 unq 0 iso 0 dist 9.84682 10.875 8.70484 4.73998 7.5999 12.1963 numMergedOcc 0
33 mol 250 unq 1 iso 0 dist 9.84682 10.875 8.70484 6.78967 9.50976 7.38134 numMergedOcc 0
34 mol 250 unq 2 iso 0 dist 8.26719 6.39204 8.70484 14.6394 7.5999 12.1963 numMergedOcc 0
35 mol 250 unq 3 iso 0 dist 8.26719 6.39204 8.70484 11.4275 9.50976 7.38134 numMergedOcc 0
36 mol 252 unq 0 iso 0 dist 6.97105 5.3935 5.2361 12.0895 9.76731 14.0295 numMergedOcc 0
37 mol 252 unq 1 iso 0 dist 6.97105 5.3935 5.2361 8.31743 8.38599 10.3309 numMergedOcc 0
38 mol 252 unq 2 iso 0 dist 6.97105 11.142 5.57515 12.0895 9.76731 7.41325 numMergedOcc 0
39 mol 252 unq 3 iso 0 dist 6.97105 11.142 5.57515 8.31743 8.38599 7.40276 numMergedOcc 0
40 mol 252 unq 4 iso 0 dist 6.97105 10.9527 8.28694 12.0895 9.76731 6.68865 numMergedOcc 0
41 mol 252 unq 5 iso 0 dist 6.97105 10.9527 8.28694 8.31743 8.38599 3.93498 numMergedOcc 0
42 mol 277 unq 0 iso 0 dist 9.06496 9.69453 7.25677 13.9944 8.78893 6.50127 numMergedOcc 0
43 mol 282 unq 0 iso 0 dist 7.44868 8.60464 6.353 9.10431 9.18236 3.70701 numMergedOcc 0
