0 mol 30 unq 0 iso 0 dist 9.41816 8.66179 8.18794 6.51677 9.81761 5.9029 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 8.35897 11.8281 9.3647 6.19066 8.94569 7.04545 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 6.00684 8.68717 9.8089 6.0425 5.72627 5.63508 numMergedOcc 0
3 mol 79 unq 1 iso 0 dist 6.00684 8.68717 9.8089 11.8739 7.68741 9.73669 numMergedOcc 0
4 mol 79 unq 2 iso 0 dist 6.00684 8.68717 9.8089 12.1206 9.86085 6.00867 numMergedOcc 0
5 mol 79 unq 3 iso 0 dist 6.00684 8.68717 9.8089 11.9735 9.76351 12.6221 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 9.90769 7.97948 7.9309 7.07917 5.68212 8.07204 numMergedOcc 0
7 mol 124 unq 0 iso 0 dist 8.45451 5.20968 8.03603 4.31676 9.5436 4.26006 numMergedOcc 0
8 mol 125 unq 0 iso 0 dist 9.5205 6.57549 8.44933 7.15048 8.74577 5.61158 numMergedOcc 0
9 mol 125 unq 1 iso 0 dist 7.1608 6.57549 7.43803 4.18419 9.94322 6.27138 numMergedOcc 0
10 mol 125 unq 2 iso 0 dist 7.1608 6.57549 7.43803 7.15048 9.7728 5.61158 numMergedOcc 0
11 mol 174 unq 0 iso 0 dist 8.36618 10.67 9.56869 6.07412 8.39178 10.981 numMergedOcc 0
12 mol 174 unq 1 iso 0 dist 8.36618 10.67 9.56869 7.20832 7.54918 13.6211 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 8.27545 5.31675 5.83093 5.97774 8.29166 4.71967 numMergedOcc 0
14 mol 192 unq 1 iso 0 dist 8.27545 5.31675 5.83093 15.3045 8.14859 10.8213 numMergedOcc 0
15 mol 192 unq 2 iso 0 dist 8.27545 5.31675 5.83093 11.5774 5.62421 6.75301 numMergedOcc 0
16 mol 226 unq 0 iso 0 dist 8.29033 12.4349 8.24741 8.82367 6.45143 4.97624 numMergedOcc 0
17 mol 226 unq 1 iso 0 dist 8.29033 4.67515 5.07958 8.82367 6.45143 5.55393 numMergedOcc 0
18 mol 226 unq 2 iso 0 dist 8.29033 11.2053 6.19519 8.82367 6.45143 9.35407 numMergedOcc 0
19 mol 226 unq 3 iso 0 dist 5.44698 11.1522 8.24741 7.04199 6.45143 4.97624 numMergedOcc 0
20 mol 226 unq 4 iso 0 dist 5.44698 4.8749 5.07958 7.04199 6.45143 5.55393 numMergedOcc 0
21 mol 226 unq 5 iso 0 dist 5.44698 6.81662 6.19519 7.04199 6.45143 9.35407 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 6.70738 9.59108 9.82057 8.9959 8.99609 4.239 numMergedOcc 0
23 mol 239 unq 1 iso 0 dist 6.70738 9.59108 9.82057 6.56772 8.09656 5.29359 numMergedOcc 0
24 mol 239 unq 2 iso 0 dist 8.55314 13.5832 9.82057 12.8119 8.99609 4.239 numMergedOcc 0
25 mol 239 unq 3 iso 0 dist 8.55314 13.5832 9.82057 10.0385 8.09656 5.29359 numMergedOcc 0
26 mol 281 unq 0 iso 0 dist 8.19366 5.39628 6.47753 7.65583 7.85707 10.2741 numMergedOcc 0
27 mol 281 unq 1 iso 0 dist 8.19366 7.203 9.69744 7.65583 7.85707 13.7939 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 8.17727 7.70951 9.60309 6.25614 9.5144 6.28133 numMergedOcc 0
