0 mol 11 unq 0 iso 0 dist 5.95165 4.46394 5.96346 9.80646 6.84216 6.76736 14.1019 11.0597 10.0282 6.83186 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.7435 4.08268 4.30695 8.98102 6.58046 8.84131 13.4066 10.7048 14.2498 6.83186 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 5.7435 4.24301 6.35398 8.98102 6.58046 6.51674 13.4066 10.7048 9.81983 6.83186 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 6.58793 3.88757 7.54568 12.1387 8.04242 13.5973 14.0035 8.37717 15.3758 4.18248 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.9747 7.43001 6.65501 4.48773 7.92856 11.6496 9.68556 13.6536 16.876 6.5816 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 4.50572 9.5305 6.65501 3.8493 7.92856 11.6496 9.23905 13.6536 16.876 6.5816 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 8.35636 9.74143 7.02927 3.98588 8.11702 11.1265 7.39028 4.56372 5.54226 9.29327 numMergedOcc 0
7 mol 109 unq 1 iso 0 dist 8.35636 9.51381 6.60933 3.98588 8.11702 6.57741 7.39028 4.56372 10.3411 9.29327 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 8.89481 11.2266 8.8822 5.96967 7.02367 5.40648 9.86767 13.0914 9.34113 7.02358 numMergedOcc 0
9 mol 113 unq 1 iso 0 dist 8.89481 11.2266 8.8822 7.52951 9.30832 15.5674 14.4081 10.2689 16.2322 9.14336 numMergedOcc 0
10 mol 113 unq 2 iso 0 dist 8.89481 9.01097 9.66219 5.96967 7.02367 3.52111 9.86767 13.0914 5.35711 7.02358 numMergedOcc 0
11 mol 113 unq 3 iso 0 dist 8.89481 9.01097 9.66219 7.52951 9.30832 13.7232 14.4081 10.2689 15.4368 9.14336 numMergedOcc 0
12 mol 122 unq 0 iso 0 dist 6.78949 4.21285 8.88537 6.80573 4.42563 8.90201 12.9454 6.34716 15.1966 8.565 numMergedOcc 0
13 mol 122 unq 1 iso 0 dist 6.78949 6.93382 9.23819 6.80573 4.42563 11.3935 12.9454 6.34716 14.9314 8.565 numMergedOcc 0
14 mol 122 unq 2 iso 0 dist 9.40018 9.33734 8.88537 12.9961 4.42563 8.90201 13.6426 6.34716 15.1966 8.565 numMergedOcc 0
15 mol 122 unq 3 iso 0 dist 9.40018 4.81033 9.23819 12.9961 4.42563 11.3935 13.6426 6.34716 14.9314 8.565 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 8.30654 11.6678 7.78652 9.81306 8.99891 14.3396 10.5624 6.75249 13.6073 4.3855 numMergedOcc 0
17 mol 143 unq 1 iso 0 dist 8.30654 11.347 8.91301 9.81306 8.99891 12.476 10.5624 6.75249 12.9862 4.3855 numMergedOcc 0
18 mol 206 unq 0 iso 0 dist 9.36079 10.9922 6.16414 12.9317 4.51255 9.36584 11.8579 4.46135 7.9416 6.80296 numMergedOcc 0
19 mol 206 unq 1 iso 0 dist 9.36079 9.89331 7.33701 12.9317 4.51255 8.97305 11.8579 4.46135 11.4622 6.80296 numMergedOcc 0
20 mol 206 unq 2 iso 0 dist 9.36079 8.83984 8.0871 12.9317 4.51255 8.90838 11.8579 4.46135 12.5259 6.80296 numMergedOcc 0
21 mol 206 unq 3 iso 0 dist 7.42904 8.16827 6.16414 10.8126 4.51255 9.36584 10.9003 4.46135 7.9416 6.80296 numMergedOcc 0
22 mol 206 unq 4 iso 0 dist 7.42904 6.06766 7.33701 10.8126 4.51255 8.97305 10.9003 4.46135 11.4622 6.80296 numMergedOcc 0
23 mol 206 unq 5 iso 0 dist 7.42904 5.82916 8.0871 10.8126 4.51255 8.90838 10.9003 4.46135 12.5259 6.80296 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 6.44212 8.28901 8.84636 3.71488 4.43499 5.76503 5.17335 4.61469 11.637 6.09626 numMergedOcc 0
25 mol 292 unq 0 iso 0 dist 9.20416 11.6878 7.07965 7.30677 4.49592 5.06937 15.2035 7.22011 5.91617 8.07775 numMergedOcc 0
26 mol 292 unq 1 iso 0 dist 7.53641 8.46139 7.07965 5.33412 4.49592 5.06937 9.01115 7.22011 5.91617 8.07775 numMergedOcc 0
