0 mol 65 unq 0 iso 0 dist 8.70783 10.8737 6.72639 5.43428 5.94206 5.51708 7.62028 6.59475 8.76461 5.83149 numMergedOcc 0
1 mol 113 unq 0 iso 0 dist 5.7085 11.4228 8.8822 5.03181 6.6317 7.27193 16.4545 11.2266 8.89481 14.3332 numMergedOcc 0
2 mol 119 unq 0 iso 0 dist 9.04937 7.79117 8.99399 4.91693 7.20249 7.45148 11.0698 5.73999 6.40546 8.4733 numMergedOcc 0
3 mol 162 unq 0 iso 0 dist 9.06613 6.66205 6.45896 4.58889 9.7361 4.38317 12.1214 4.13881 8.25167 12.2828 numMergedOcc 0
4 mol 171 unq 0 iso 0 dist 8.53734 11.071 9.61462 13.6177 5.25109 11.5561 7.7195 4.98945 6.07091 8.81813 numMergedOcc 0
5 mol 171 unq 1 iso 0 dist 8.53734 11.071 9.61462 16.0184 8.21618 10.844 7.7195 4.98945 6.07091 10.1083 numMergedOcc 0
6 mol 171 unq 2 iso 0 dist 6.08141 10.3893 9.61462 9.13275 5.25109 11.5561 8.30819 4.98945 6.07091 8.81813 numMergedOcc 0
7 mol 171 unq 3 iso 0 dist 6.08141 10.3893 9.61462 11.3808 8.21618 10.844 8.30819 4.98945 6.07091 10.1083 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 9.89987 5.10258 6.22122 5.16569 7.32087 6.06566 13.1737 12.0718 9.58911 13.2834 numMergedOcc 0
9 mol 181 unq 1 iso 0 dist 9.89987 5.10258 6.22122 14.8476 8.86197 13.0409 13.1737 12.0718 9.58911 15.9008 numMergedOcc 0
10 mol 181 unq 2 iso 0 dist 9.91457 11.9245 5.94469 4.92197 9.92471 9.69409 12.378 6.78739 9.84952 14.0612 numMergedOcc 0
11 mol 192 unq 0 iso 0 dist 9.71614 9.58683 8.77999 9.80925 6.60053 12.717 17.6782 11.0516 9.90531 17.1417 numMergedOcc 0
12 mol 192 unq 1 iso 0 dist 9.71614 9.58683 8.77999 13.4246 9.36796 14.8459 17.6782 11.0516 9.90531 18.5257 numMergedOcc 0
13 mol 192 unq 2 iso 0 dist 8.81185 10.9985 8.77999 5.47621 6.60053 12.717 18.3634 11.0516 9.90531 17.1417 numMergedOcc 0
14 mol 192 unq 3 iso 0 dist 8.81185 10.9985 8.77999 8.27422 9.36796 14.8459 18.3634 11.0516 9.90531 18.5257 numMergedOcc 0
15 mol 196 unq 0 iso 0 dist 4.83135 9.99132 6.86319 4.45798 7.21349 10.645 15.5979 11.4857 8.79558 17.9837 numMergedOcc 0
16 mol 232 unq 0 iso 0 dist 8.70651 9.88635 8.50102 14.8728 9.78181 6.2188 8.15743 6.36084 7.70279 9.41148 numMergedOcc 0
17 mol 232 unq 1 iso 0 dist 8.70651 9.88635 8.50102 4.03628 9.8664 12.3508 8.15743 6.36084 7.70279 7.83422 numMergedOcc 0
18 mol 232 unq 2 iso 0 dist 8.70651 5.08111 9.40808 14.8728 9.78181 12.5452 8.15743 6.36084 9.29752 9.41148 numMergedOcc 0
19 mol 232 unq 3 iso 0 dist 8.70651 5.08111 9.40808 4.03628 9.8664 8.80479 8.15743 6.36084 9.29752 7.83422 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 6.38654 6.89249 8.94014 3.99122 5.92374 5.50308 14.4186 16.2294 9.32451 11.4318 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 9.77185 9.71057 8.94014 11.3383 5.92374 5.50308 14.1871 16.2294 9.32451 11.4318 numMergedOcc 0
22 mol 265 unq 0 iso 0 dist 6.99454 5.26386 6.71375 8.9809 8.984 10.0732 11.1606 10.7881 7.04833 16.8118 numMergedOcc 0
