0 mol 27 unq 0 iso 0 dist 8.57551 8.81543 9.21168 13.1291 9.52155 18.157 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 8.57551 8.81543 9.21168 9.11983 9.16319 15.9863 numMergedOcc 0
2 mol 27 unq 2 iso 0 dist 9.32506 5.08283 9.21168 16.7181 9.52155 18.157 numMergedOcc 0
3 mol 27 unq 3 iso 0 dist 9.32506 5.08283 9.21168 13.5691 9.16319 15.9863 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 8.96872 11.0751 9.71134 9.99421 8.87977 7.4182 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 9.56199 5.23632 5.1524 6.3119 7.02043 3.82317 numMergedOcc 0
6 mol 152 unq 0 iso 0 dist 9.87656 4.57152 9.17101 15.3246 7.78215 15.2106 numMergedOcc 0
7 mol 152 unq 1 iso 0 dist 5.35463 10.0143 9.17101 9.74508 7.78215 15.2106 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 8.9675 6.12711 9.2828 15.0962 9.82522 18.053 numMergedOcc 0
9 mol 154 unq 1 iso 0 dist 8.9675 6.12711 9.2828 14.8962 8.50773 15.2697 numMergedOcc 0
10 mol 162 unq 0 iso 0 dist 7.93307 10.8288 8.52194 10.5848 8.70516 5.40711 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 8.86708 11.8119 6.93215 10.486 9.41473 4.68656 numMergedOcc 0
12 mol 210 unq 1 iso 0 dist 5.86875 12.1997 6.93215 14.0159 9.41473 4.68656 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 9.92712 10.8016 7.01486 6.90422 9.63062 10.9213 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 9.92712 4.07704 8.86569 6.90422 9.63062 7.63905 numMergedOcc 0
15 mol 220 unq 2 iso 0 dist 9.92712 5.41259 9.06824 6.90422 9.63062 10.7068 numMergedOcc 0
16 mol 261 unq 0 iso 0 dist 9.42131 9.99305 9.05171 9.44548 9.39727 4.1492 numMergedOcc 0
17 mol 261 unq 1 iso 0 dist 7.01147 9.99305 5.46946 9.44548 7.8647 4.1492 numMergedOcc 0
18 mol 261 unq 2 iso 0 dist 6.24373 7.35811 9.05171 4.93849 9.39727 4.1492 numMergedOcc 0
19 mol 261 unq 3 iso 0 dist 8.69549 7.35811 5.46946 4.93849 7.8647 4.1492 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 9.27812 9.64323 9.96942 7.52317 8.53393 13.664 numMergedOcc 0
21 mol 266 unq 1 iso 0 dist 9.27812 9.64323 9.96942 9.52953 7.24165 13.7979 numMergedOcc 0
22 mol 272 unq 0 iso 0 dist 7.67597 11.0763 8.05048 4.58591 5.20568 6.83993 numMergedOcc 0
23 mol 272 unq 1 iso 0 dist 9.04936 4.4648 8.05048 8.33955 5.20568 6.83993 numMergedOcc 0
24 mol 282 unq 0 iso 0 dist 8.64115 7.69985 5.62135 5.17343 7.89625 4.32276 numMergedOcc 0
25 mol 283 unq 0 iso 0 dist 6.69313 6.51788 4.1631 15.4958 9.74797 12.6455 numMergedOcc 0
26 mol 283 unq 1 iso 0 dist 6.69313 6.51788 4.1631 14.4844 9.90494 7.97597 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 8.71214 4.06566 7.89324 9.08224 9.97939 5.13698 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 8.71214 4.06566 7.89324 9.08224 9.97939 5.13698 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 8.71214 4.06566 7.89324 9.08224 9.97939 5.13698 numMergedOcc 0
