0 mol 11 unq 0 iso 0 dist 5.95165 4.46394 5.96346 11.7593 10.7734 7.98326 7.95811 9.62262 7.46578 8.00765 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 5.95165 4.46394 5.96346 7.95811 9.62262 7.46578 11.7593 10.7734 7.98326 8.00765 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 5.7435 4.24301 6.35398 11.4417 10.9183 7.98326 8.23032 9.99434 7.90478 8.05578 numMergedOcc 0
3 mol 11 unq 1 iso 1 dist 5.7435 4.24301 6.35398 8.23032 9.99434 7.90478 11.4417 10.9183 7.98326 8.05578 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.88413 10.7087 7.55264 11.6272 10.8498 6.25843 18.0075 10.4337 8.88938 12.6805 numMergedOcc 0
5 mol 25 unq 0 iso 1 dist 8.88413 10.7087 7.55264 18.0075 10.4337 8.88938 11.6272 10.8498 6.25843 12.6805 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 8.4545 4.1125 5.9465 5.62309 8.70803 6.77241 7.11438 9.52327 5.50508 6.2185 numMergedOcc 0
7 mol 92 unq 0 iso 1 dist 8.4545 4.1125 5.9465 7.11438 9.52327 5.50508 5.62309 8.70803 6.77241 6.2185 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 7.01176 4.1125 6.97962 5.62309 8.87994 6.77241 7.11438 11.641 5.50508 6.2185 numMergedOcc 0
9 mol 92 unq 1 iso 1 dist 7.01176 4.1125 6.97962 7.11438 11.641 5.50508 5.62309 8.87994 6.77241 6.2185 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 6.38163 7.03404 6.28565 12.672 10.7293 9.73158 11.6466 7.29399 7.59327 5.41583 numMergedOcc 0
11 mol 129 unq 0 iso 1 dist 6.38163 7.03404 6.28565 11.6466 7.29399 7.59327 12.672 10.7293 9.73158 5.41583 numMergedOcc 0
12 mol 171 unq 0 iso 0 dist 6.07091 4.98945 9.61462 8.81813 11.5561 5.25109 10.1083 10.844 8.21618 3.98338 numMergedOcc 0
13 mol 171 unq 0 iso 1 dist 6.07091 4.98945 9.61462 10.1083 10.844 8.21618 8.81813 11.5561 5.25109 3.98338 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 9.58911 12.0718 6.22122 13.2834 6.06566 7.32087 15.9008 13.0409 8.86197 9.87773 numMergedOcc 0
15 mol 181 unq 0 iso 1 dist 9.58911 12.0718 6.22122 15.9008 13.0409 8.86197 13.2834 6.06566 7.32087 9.87773 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 9.90531 11.0516 8.77999 17.1417 12.717 6.60053 18.5257 14.8459 9.36796 4.20321 numMergedOcc 0
17 mol 192 unq 0 iso 1 dist 9.90531 11.0516 8.77999 18.5257 14.8459 9.36796 17.1417 12.717 6.60053 4.20321 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 7.70279 6.36084 8.50102 9.41148 6.2188 9.78181 7.83422 12.3508 9.8664 16.4381 numMergedOcc 0
19 mol 232 unq 0 iso 1 dist 7.70279 6.36084 8.50102 7.83422 12.3508 9.8664 9.41148 6.2188 9.78181 16.4381 numMergedOcc 0
20 mol 232 unq 1 iso 0 dist 9.29752 6.36084 9.40808 9.41148 12.5452 9.78181 7.83422 8.80479 9.8664 16.4381 numMergedOcc 0
21 mol 232 unq 1 iso 1 dist 9.29752 6.36084 9.40808 7.83422 8.80479 9.8664 9.41148 12.5452 9.78181 16.4381 numMergedOcc 0
22 mol 244 unq 0 iso 0 dist 7.65388 4.38246 5.50492 8.57917 7.6169 7.95359 5.79898 5.17744 6.22122 10.6423 numMergedOcc 0
23 mol 244 unq 0 iso 1 dist 7.65388 4.38246 5.50492 5.79898 5.17744 6.22122 8.57917 7.6169 7.95359 10.6423 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 6.55855 5.15747 6.39866 9.11072 6.16703 6.88827 6.83113 5.64601 9.16942 11.6106 numMergedOcc 0
25 mol 274 unq 0 iso 1 dist 6.55855 5.15747 6.39866 6.83113 5.64601 9.16942 9.11072 6.16703 6.88827 11.6106 numMergedOcc 0
26 mol 274 unq 1 iso 0 dist 9.71801 4.36131 8.52587 9.02071 6.20558 6.88827 11.74 16.3619 9.16942 11.6106 numMergedOcc 0
27 mol 274 unq 1 iso 1 dist 9.71801 4.36131 8.52587 11.74 16.3619 9.16942 9.02071 6.20558 6.88827 11.6106 numMergedOcc 0
