0 mol 13 unq 0 iso 0 dist 8.5226 6.54276 6.00107 12.1518 5.58571 8.27119 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 7.71457 6.0606 8.13863 13.1741 16.1643 8.97754 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 6.44363 6.99091 9.67624 7.36836 4.24673 7.34832 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.70787 10.0714 8.31317 11.8856 10.9695 4.27766 numMergedOcc 0
4 mol 81 unq 0 iso 0 dist 6.22059 7.58448 9.36388 9.53663 4.52409 8.96045 numMergedOcc 0
5 mol 107 unq 0 iso 0 dist 8.83855 6.31693 6.71858 9.8143 3.35244 5.31375 numMergedOcc 0
6 mol 107 unq 1 iso 0 dist 8.83855 13.1278 9.37159 9.8143 3.35244 6.49371 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 9.43487 8.60362 6.03035 7.96893 4.62493 8.67025 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 9.97052 5.56591 6.03035 12.376 4.62493 8.67025 numMergedOcc 0
9 mol 113 unq 2 iso 0 dist 7.3324 12.0012 6.03035 10.1843 4.62493 8.67025 numMergedOcc 0
10 mol 157 unq 0 iso 0 dist 9.9803 7.40997 8.61764 14.7097 10.3822 7.91458 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.33272 3.6848 7.54492 6.99587 12.998 9.17458 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 9.33272 3.6848 7.54492 4.37577 11.8806 7.36794 numMergedOcc 0
13 mol 254 unq 0 iso 0 dist 8.83523 5.06168 9.43831 7.89302 5.14008 5.6417 numMergedOcc 0
14 mol 286 unq 0 iso 0 dist 9.96295 13.3451 9.2551 20.713 13.5954 8.75926 numMergedOcc 0
15 mol 286 unq 1 iso 0 dist 8.95266 13.6536 9.2551 15.9802 13.5954 8.75926 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 6.08044 10.8556 9.62446 8.71974 3.39991 8.06767 numMergedOcc 0
17 mol 287 unq 1 iso 0 dist 6.08044 10.4719 9.99681 8.71974 3.39991 9.91087 numMergedOcc 0
18 mol 287 unq 2 iso 0 dist 8.8956 12.7029 9.62446 10.3191 3.39991 8.06767 numMergedOcc 0
19 mol 287 unq 3 iso 0 dist 8.8956 5.57075 9.99681 10.3191 3.39991 9.91087 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 6.08044 10.8556 9.62446 8.71974 3.39991 8.06767 numMergedOcc 0
21 mol 288 unq 1 iso 0 dist 6.08044 10.4719 9.99681 8.71974 3.39991 9.91087 numMergedOcc 0
22 mol 288 unq 2 iso 0 dist 8.8956 12.7029 9.62446 10.3191 3.39991 8.06767 numMergedOcc 0
23 mol 288 unq 3 iso 0 dist 8.8956 5.57075 9.99681 10.3191 3.39991 9.91087 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 6.08044 10.8556 9.62446 8.71974 3.39991 8.06767 numMergedOcc 0
25 mol 289 unq 1 iso 0 dist 6.08044 10.4719 9.99681 8.71974 3.39991 9.91087 numMergedOcc 0
26 mol 289 unq 2 iso 0 dist 8.8956 12.7029 9.62446 10.3191 3.39991 8.06767 numMergedOcc 0
27 mol 289 unq 3 iso 0 dist 8.8956 5.57075 9.99681 10.3191 3.39991 9.91087 numMergedOcc 0
