0 mol 18 unq 0 iso 0 dist 8.2056 5.03976 4.49033 5.02571 11.7139 8.52106 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.2056 5.03976 4.49033 6.78812 9.38772 6.32451 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 6.42206 9.08976 6.66387 13.1105 14.5062 8.82012 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 6.42206 9.08976 6.66387 4.76147 6.88695 9.16962 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.77145 6.5784 6.00428 10.4838 12.6953 6.91734 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 4.87397 6.5784 5.77806 10.4838 11.7189 6.91734 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 8.68381 7.13638 10.3974 7.33437 15.1543 8.81638 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 9.72287 8.73104 4.4449 4.23724 10.2675 9.80142 numMergedOcc 0
8 mol 64 unq 1 iso 0 dist 9.72287 9.31622 10.2051 9.78246 16.7611 8.68586 numMergedOcc 0
9 mol 64 unq 2 iso 0 dist 9.72287 9.31622 10.2051 4.23724 10.2675 9.54144 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 9.79412 6.18729 7.62048 4.73852 10.9136 9.39469 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 9.79412 6.18729 7.62048 4.58978 10.9561 4.76815 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 8.65822 6.18729 8.44086 4.73852 10.4267 9.39469 numMergedOcc 0
13 mol 100 unq 3 iso 0 dist 8.65822 6.18729 8.44086 4.58978 11.319 4.76815 numMergedOcc 0
14 mol 130 unq 0 iso 0 dist 8.87505 9.02079 4.72188 6.79537 9.72083 9.12581 numMergedOcc 0
15 mol 130 unq 1 iso 0 dist 8.87505 9.02079 4.72188 8.50937 5.49877 8.74308 numMergedOcc 0
16 mol 147 unq 0 iso 0 dist 5.70772 4.48898 4.47436 6.97147 10.7523 8.33261 numMergedOcc 0
17 mol 147 unq 1 iso 0 dist 5.03663 7.06711 4.47436 10.7074 10.7523 8.33261 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 8.94464 7.82604 6.39513 5.49666 10.498 9.6668 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 8.94464 8.22583 6.24616 11.755 12.06 7.98142 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 8.63713 7.82604 5.70246 5.49666 11.7479 9.6668 numMergedOcc 0
21 mol 181 unq 3 iso 0 dist 8.63713 8.22583 14.1913 11.755 15.5519 7.98142 numMergedOcc 0
22 mol 181 unq 4 iso 0 dist 8.92685 6.62037 5.56759 5.49497 10.5756 7.98142 numMergedOcc 0
23 mol 181 unq 5 iso 0 dist 8.92685 6.21461 4.43465 5.49497 10.5756 7.37327 numMergedOcc 0
24 mol 233 unq 0 iso 0 dist 7.24533 7.40764 5.3674 7.20791 12.7167 9.43203 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 9.61428 9.13022 8.59287 4.67735 9.01016 7.67322 numMergedOcc 0
26 mol 247 unq 0 iso 0 dist 9.79737 8.09208 4.32191 5.82669 10.5086 6.6838 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 6.83706 5.68415 7.53102 9.03495 6.42725 6.77938 numMergedOcc 0
28 mol 265 unq 0 iso 0 dist 8.09021 7.74463 5.55314 4.75685 9.772 6.34034 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 6.86805 6.41474 10.0609 4.97892 8.59986 9.02188 numMergedOcc 0
30 mol 267 unq 0 iso 0 dist 9.60447 9.18446 13.3347 14.0558 19.4831 8.76007 numMergedOcc 0
