0 mol 7 unq 0 iso 0 dist 8.41585 5.99972 12.0193 7.78327 13.5229 3.54153 14.7759 9.68596 14.5216 16.2245 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 4.51865 6.41423 4.64838 7.7312 4.44441 5.31883 7.08342 8.40416 9.95212 12.7679 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 6.864 6.41423 4.97119 7.7312 10.0411 5.31883 7.08342 7.75618 9.95212 12.7679 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.86014 7.33768 4.32034 7.49157 8.66248 7.02381 6.66749 9.41441 8.00171 11.4816 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.86014 7.33768 4.32034 7.73794 6.73521 7.18485 6.66749 9.41441 8.00171 12.7944 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 6.86014 9.01567 8.67951 7.49157 8.66248 13.4969 6.66749 9.41441 4.2121 11.4816 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 6.86014 9.01567 8.67951 7.73794 6.73521 13.9252 6.66749 9.41441 4.2121 12.7944 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 6.86014 7.29868 8.52463 7.49157 8.66248 14.1137 6.66749 9.41441 6.72323 11.4816 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 6.86014 7.29868 8.52463 7.73794 6.73521 13.4584 6.66749 9.41441 6.72323 12.7944 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 5.54419 8.70827 5.59311 8.23075 6.7846 12.2271 5.11617 8.4051 12.8389 7.85986 numMergedOcc 0
10 mol 24 unq 7 iso 0 dist 5.54419 8.70827 5.59311 8.23075 6.7846 12.2271 13.1779 8.23446 11.4596 7.8619 numMergedOcc 0
11 mol 24 unq 8 iso 0 dist 5.54419 8.70827 5.59311 8.23075 6.7846 12.2271 10.8238 8.75662 11.6684 11.0098 numMergedOcc 0
12 mol 24 unq 9 iso 0 dist 5.54419 8.70827 5.59311 4.7841 8.03955 12.6431 5.11617 8.4051 12.8389 4.30252 numMergedOcc 0
13 mol 24 unq 10 iso 0 dist 5.54419 8.70827 5.59311 4.7841 8.03955 12.6431 13.1779 8.23446 11.4596 13.3176 numMergedOcc 0
14 mol 24 unq 11 iso 0 dist 5.54419 8.70827 5.59311 4.7841 8.03955 12.6431 10.8238 8.75662 11.6684 12.496 numMergedOcc 0
15 mol 24 unq 12 iso 0 dist 5.54419 6.73939 12.176 8.23075 6.7846 12.2839 5.11617 8.4051 6.72323 7.85986 numMergedOcc 0
16 mol 24 unq 13 iso 0 dist 5.54419 6.73939 12.176 8.23075 6.7846 12.2839 13.1779 8.23446 19.0465 7.8619 numMergedOcc 0
17 mol 24 unq 14 iso 0 dist 5.54419 6.73939 12.176 8.23075 6.7846 12.2839 10.8238 8.75662 15.7523 11.0098 numMergedOcc 0
18 mol 24 unq 15 iso 0 dist 5.54419 6.73939 12.176 4.7841 8.03955 6.22954 5.11617 8.4051 6.72323 4.30252 numMergedOcc 0
19 mol 24 unq 16 iso 0 dist 5.54419 6.73939 12.176 4.7841 8.03955 6.22954 13.1779 8.23446 19.0465 13.3176 numMergedOcc 0
20 mol 24 unq 17 iso 0 dist 5.54419 6.73939 12.176 4.7841 8.03955 6.22954 10.8238 8.75662 15.7523 12.496 numMergedOcc 0
21 mol 25 unq 0 iso 0 dist 6.03987 8.6653 5.82503 7.03372 9.92243 10.3493 5.68392 6.85556 12.0452 11.386 numMergedOcc 0
22 mol 58 unq 0 iso 0 dist 6.86465 9.92355 5.78774 9.23438 4.59417 8.76454 10.2049 8.80614 10.2007 6.41008 numMergedOcc 0
23 mol 58 unq 1 iso 0 dist 6.35756 7.68678 5.78774 7.17488 4.59417 8.76454 5.49591 8.80614 10.2007 6.41008 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 7.92856 8.29813 11.6496 7.06961 6.7117 6.88901 13.6994 numMergedOcc 0
25 mol 98 unq 1 iso 0 dist 6.10456 6.65501 9.67482 7.92856 12.7473 11.6496 7.06961 4.47349 6.88901 13.6994 numMergedOcc 0
26 mol 131 unq 0 iso 0 dist 6.85062 8.70296 14.2045 8.80895 11.6692 5.92118 13.7237 9.90168 18.6956 17.1537 numMergedOcc 0
27 mol 131 unq 1 iso 0 dist 6.85062 9.25558 5.09131 8.80895 11.6692 10.2176 13.7237 9.90168 13.2952 17.1537 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 7.81386 5.94469 7.77758 8.29467 6.13927 3.63671 7.20191 9.39829 11.8933 13.0634 numMergedOcc 0
29 mol 181 unq 1 iso 0 dist 7.63312 5.94469 12.5387 8.29467 13.2274 3.63671 5.63555 5.9176 10.3104 12.0951 numMergedOcc 0
30 mol 181 unq 2 iso 0 dist 7.63312 5.94469 12.5387 8.29467 13.2274 3.63671 7.20191 6.41453 11.8933 13.0634 numMergedOcc 0
31 mol 205 unq 0 iso 0 dist 7.26832 5.44002 10.3603 7.13783 13.3822 4.76454 12.4957 6.03688 15.3509 17.7232 numMergedOcc 0
32 mol 231 unq 0 iso 0 dist 7.37839 7.79066 9.0443 9.9868 16.456 10.5016 6.37275 6.98875 12.7246 16.0391 numMergedOcc 0
33 mol 231 unq 1 iso 0 dist 7.37839 7.79066 9.0443 7.3268 6.63423 4.02097 6.37275 6.98875 12.7246 10.3577 numMergedOcc 0
34 mol 231 unq 2 iso 0 dist 8.40182 7.79066 12.1512 9.9868 17.7601 10.5016 6.37275 6.54852 12.7246 16.0391 numMergedOcc 0
35 mol 231 unq 3 iso 0 dist 8.40182 7.79066 12.1512 7.3268 10.3815 4.02097 6.37275 6.54852 12.7246 10.3577 numMergedOcc 0
36 mol 232 unq 0 iso 0 dist 8.27212 9.05071 8.80479 8.25985 4.04428 12.159 4.9377 9.40808 9.8664 9.78273 numMergedOcc 0
37 mol 232 unq 1 iso 0 dist 8.27212 9.05071 8.80479 9.27788 4.22149 8.36223 4.9377 9.40808 9.8664 11.9664 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 7.56915 9.85289 6.20558 9.83622 4.24652 5.14522 5.29529 8.52587 6.88827 9.2199 numMergedOcc 0
