0 mol 7 unq 0 iso 0 dist 8.8576 5.83293 6.8464 10.4545 8.41585 5.0893 8.401 5.99972 9.85147 12.0193 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.13365 8.35576 8.0319 10.5449 6.86014 11.4109 7.1011 7.33768 10.6504 4.32034 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.13365 8.35576 8.0319 10.5449 6.86014 11.4109 10.8208 9.01567 15.919 8.67951 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.13365 8.35576 8.0319 10.5449 6.86014 11.4109 13.3998 7.29868 15.2997 8.52463 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.47617 11.3388 8.03754 15.1595 8.80331 14.0204 12.8271 8.95682 11.3298 6.18002 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 8.47617 11.3388 8.03754 8.14351 6.20293 13.1056 12.8271 8.95682 11.3298 8.38399 numMergedOcc 0
6 mol 122 unq 0 iso 0 dist 8.054 8.9579 8.75778 9.57532 8.37808 9.00329 4.4646 9.23819 10.8777 7.39059 numMergedOcc 0
7 mol 122 unq 1 iso 0 dist 8.054 8.9579 8.75778 9.57532 8.37808 9.00329 5.97096 8.88537 6.78281 5.0355 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 6.47346 11.0685 8.59695 6.90896 5.83384 6.13737 10.8332 9.36851 7.72162 10.7293 numMergedOcc 0
9 mol 129 unq 1 iso 0 dist 6.47346 11.0685 8.59695 6.90896 5.83384 6.13737 5.75407 4.97175 7.95267 7.29399 numMergedOcc 0
10 mol 129 unq 2 iso 0 dist 6.47346 3.86284 6.42706 6.90896 5.83384 5.12351 10.8332 9.36851 13.0193 10.7293 numMergedOcc 0
11 mol 129 unq 3 iso 0 dist 6.47346 3.86284 6.42706 6.90896 5.83384 5.12351 5.75407 4.97175 8.03693 7.29399 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 6.43406 6.35731 7.7544 10.9813 7.81386 10.8374 11.4522 9.39829 7.18433 7.20191 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 6.20646 12.7269 9.44947 5.21426 7.10633 10.5243 11.1093 9.68728 4.29037 7.67571 numMergedOcc 0
14 mol 204 unq 1 iso 0 dist 6.20646 12.7269 9.44947 8.35604 8.51516 10.2677 11.1093 9.68728 4.29037 10.8573 numMergedOcc 0
15 mol 204 unq 2 iso 0 dist 6.73266 7.03981 9.44947 5.57112 7.10633 10.5243 5.39256 9.68728 4.29037 7.67571 numMergedOcc 0
16 mol 204 unq 3 iso 0 dist 6.73266 7.03981 9.44947 12.1292 8.51516 10.2677 5.39256 9.68728 4.29037 10.8573 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 6.04106 11.4325 7.51951 12.9245 7.26832 5.04299 4.45301 5.44002 7.56138 10.3603 numMergedOcc 0
18 mol 206 unq 0 iso 0 dist 7.94694 4.45877 8.11407 5.1071 7.7366 7.72969 8.91883 6.16414 11.6019 6.45859 numMergedOcc 0
19 mol 206 unq 1 iso 0 dist 7.94694 4.45877 8.11407 5.1071 7.7366 7.72969 8.83227 7.33701 9.98867 4.40897 numMergedOcc 0
20 mol 206 unq 2 iso 0 dist 7.94694 4.45877 8.11407 5.1071 7.7366 7.72969 10.6714 8.0871 9.88398 7.62219 numMergedOcc 0
21 mol 206 unq 3 iso 0 dist 7.51923 4.45877 8.95375 5.39127 8.02137 6.84704 8.91883 7.75885 11.6019 12.7604 numMergedOcc 0
22 mol 206 unq 4 iso 0 dist 7.51923 4.45877 8.95375 5.1071 9.774 7.72969 8.91883 7.75885 11.6019 6.45859 numMergedOcc 0
23 mol 206 unq 5 iso 0 dist 7.51923 10.6096 9.29007 5.39127 8.02137 12.4178 8.91883 7.75885 6.64436 12.7604 numMergedOcc 0
24 mol 206 unq 6 iso 0 dist 7.51923 10.6096 9.29007 5.1071 9.774 9.9578 8.91883 7.75885 6.64436 6.45859 numMergedOcc 0
25 mol 234 unq 0 iso 0 dist 6.15754 9.92466 5.46736 11.8245 8.34494 4.82695 14.7836 9.81425 6.30638 4.3717 numMergedOcc 0
26 mol 234 unq 1 iso 0 dist 6.15754 9.92466 5.46736 12.4455 6.56247 4.93623 14.7836 9.81425 6.30638 4.46561 numMergedOcc 0
27 mol 234 unq 2 iso 0 dist 6.15754 9.92466 5.46736 14.0876 9.36357 11.7817 14.7836 9.81425 6.30638 10.641 numMergedOcc 0
28 mol 234 unq 3 iso 0 dist 6.6281 6.70367 5.46736 6.65785 8.34494 4.82695 10.5885 9.81425 6.30638 4.3717 numMergedOcc 0
29 mol 234 unq 4 iso 0 dist 6.6281 6.70367 5.46736 10.0624 6.56247 4.93623 10.5885 9.81425 6.30638 4.46561 numMergedOcc 0
30 mol 234 unq 5 iso 0 dist 6.6281 6.70367 5.46736 13.9869 9.36357 11.7817 10.5885 9.81425 6.30638 10.641 numMergedOcc 0
