0 mol 28 unq 0 iso 0 dist 7.09381 8.42277 6.25611 12.5253 9.50693 10.4219 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 7.09381 8.46493 9.06695 12.5253 9.50693 14.365 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 7.09381 9.70547 4.52079 12.5253 9.50693 12.0346 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 8.40467 8.91922 9.71507 4.30283 9.20625 7.49391 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 7.24073 6.42785 10.1805 4.80296 8.33169 8.47637 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 8.99724 5.75809 8.10455 9.8565 7.13468 10.6015 numMergedOcc 0
6 mol 28 unq 6 iso 0 dist 8.99724 5.75809 8.10455 7.56929 9.57803 11.7978 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 7.67459 7.80117 3.83842 11.1757 7.32236 10.4804 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 7.62469 9.79386 10.7481 10.1488 8.90701 18.2871 numMergedOcc 0
9 mol 44 unq 0 iso 0 dist 6.11574 5.89913 4.94258 6.09549 6.24688 9.63128 numMergedOcc 0
10 mol 54 unq 0 iso 0 dist 9.96522 7.62814 4.04498 10.3846 8.76844 6.89022 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 4.56886 7.382 3.82317 4.95238 5.1524 7.02043 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 8.5614 4.93944 6.1672 12.9884 8.14817 8.56285 numMergedOcc 0
13 mol 210 unq 0 iso 0 dist 8.94889 8.44451 7.85817 10.4785 6.93215 13.3658 numMergedOcc 0
14 mol 254 unq 0 iso 0 dist 5.73448 9.47133 5.9731 12.4202 9.56058 6.56151 numMergedOcc 0
15 mol 254 unq 1 iso 0 dist 5.73448 7.61537 3.69576 12.4202 9.56058 8.3417 numMergedOcc 0
16 mol 261 unq 0 iso 0 dist 8.96253 9.90119 4.1492 4.34203 5.46946 7.8647 numMergedOcc 0
17 mol 261 unq 1 iso 0 dist 8.96253 9.90119 4.1492 6.7438 8.24264 11.4483 numMergedOcc 0
18 mol 261 unq 2 iso 0 dist 8.96253 9.90119 4.1492 5.02504 9.05171 9.39727 numMergedOcc 0
19 mol 283 unq 0 iso 0 dist 6.93798 9.33601 7.97597 8.33215 4.1631 9.90494 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 5.84467 8.09613 4.11753 9.38112 9.82863 10.1087 numMergedOcc 0
21 mol 287 unq 1 iso 0 dist 9.24592 7.29668 5.13698 10.577 7.89324 9.97939 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 5.84467 8.09613 4.11753 9.38112 9.82863 10.1087 numMergedOcc 0
23 mol 288 unq 1 iso 0 dist 9.24592 7.29668 5.13698 10.577 7.89324 9.97939 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 5.84467 8.09613 4.11753 9.38112 9.82863 10.1087 numMergedOcc 0
25 mol 289 unq 1 iso 0 dist 9.24592 7.29668 5.13698 10.577 7.89324 9.97939 numMergedOcc 0
