0 mol 13 unq 0 iso 0 dist 7.68531 8.66515 5.58571 10.3134 6.00107 8.27119 numMergedOcc 0
1 mol 81 unq 0 iso 0 dist 9.78763 7.94697 4.52409 14.5186 7.1229 10.9472 numMergedOcc 0
2 mol 81 unq 1 iso 0 dist 9.78763 7.94697 4.52409 8.57407 9.36388 8.96045 numMergedOcc 0
3 mol 81 unq 2 iso 0 dist 9.61137 7.94697 5.89527 8.57407 9.08333 8.96045 numMergedOcc 0
4 mol 107 unq 0 iso 0 dist 7.06322 4.99934 3.35244 4.05182 6.71858 5.31375 numMergedOcc 0
5 mol 107 unq 1 iso 0 dist 7.06322 4.99934 3.35244 4.11617 9.37159 6.49371 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 5.6738 6.38269 4.62493 7.16792 6.41507 10.4698 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 5.6738 6.38269 4.62493 7.6316 6.03035 8.67025 numMergedOcc 0
8 mol 113 unq 2 iso 0 dist 5.6738 7.11196 6.47997 7.16792 6.41507 12.2528 numMergedOcc 0
9 mol 113 unq 3 iso 0 dist 5.6738 7.11196 6.47997 7.6316 6.03035 11.1678 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 5.99965 8.94445 3.93866 6.7954 7.54492 11.4037 numMergedOcc 0
11 mol 225 unq 0 iso 0 dist 8.65437 6.15671 9.66765 7.03597 6.23614 11.3832 numMergedOcc 0
12 mol 266 unq 0 iso 0 dist 8.93788 7.51951 16.0845 12.6556 9.0654 18.3136 numMergedOcc 0
13 mol 270 unq 0 iso 0 dist 5.5609 8.53079 4.41063 4.73191 6.30711 10.4035 numMergedOcc 0
14 mol 287 unq 0 iso 0 dist 7.64453 7.96707 3.39991 14.1553 9.62446 8.06767 numMergedOcc 0
15 mol 287 unq 1 iso 0 dist 7.64453 7.96707 3.39991 4.60276 9.99681 9.91087 numMergedOcc 0
16 mol 288 unq 0 iso 0 dist 7.64453 7.96707 3.39991 14.1553 9.62446 8.06767 numMergedOcc 0
17 mol 288 unq 1 iso 0 dist 7.64453 7.96707 3.39991 4.60276 9.99681 9.91087 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 7.64453 7.96707 3.39991 14.1553 9.62446 8.06767 numMergedOcc 0
19 mol 289 unq 1 iso 0 dist 7.64453 7.96707 3.39991 4.60276 9.99681 9.91087 numMergedOcc 0
