0 mol 17 unq 0 iso 0 dist 9.43863 9.82691 6.07604 4.64234 7.07645 9.33795 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 9.43863 9.82691 6.07604 6.26254 3.94012 7.15292 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.6112 9.97117 9.57165 7.89667 7.07479 9.18438 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 4.67917 8.17564 8.85727 9.34271 5.96516 7.57153 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 5.81747 8.17564 4.07863 9.34271 7.53537 7.57153 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 7.74131 9.28803 9.59811 9.853 7.37828 5.14042 numMergedOcc 0
6 mol 123 unq 0 iso 0 dist 8.71274 6.7201 6.08047 8.30974 11.1908 6.04079 numMergedOcc 0
7 mol 163 unq 0 iso 0 dist 7.5447 8.70104 6.00005 9.37245 15.4278 12.8567 numMergedOcc 0
8 mol 163 unq 1 iso 0 dist 9.04757 8.70104 14.0224 9.37245 13.5948 12.8567 numMergedOcc 0
9 mol 183 unq 0 iso 0 dist 8.15747 7.42108 9.54124 7.16035 13.3248 8.87705 numMergedOcc 0
10 mol 183 unq 1 iso 0 dist 8.15747 7.42108 9.54124 6.2675 9.03854 4.56996 numMergedOcc 0
11 mol 183 unq 2 iso 0 dist 5.44125 7.42108 9.81014 7.16035 3.4049 8.87705 numMergedOcc 0
12 mol 183 unq 3 iso 0 dist 5.44125 7.42108 9.81014 6.2675 7.30851 4.56996 numMergedOcc 0
13 mol 183 unq 4 iso 0 dist 8.7143 9.19941 9.81014 9.01531 3.4049 8.87705 numMergedOcc 0
14 mol 185 unq 0 iso 0 dist 9.56016 8.60027 11.0188 9.1549 8.58853 3.6106 numMergedOcc 0
15 mol 185 unq 1 iso 0 dist 7.92501 8.60027 7.3365 9.1549 6.49781 3.6106 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 9.718 6.87234 10.1799 9.49242 12.6983 5.35359 numMergedOcc 0
17 mol 210 unq 1 iso 0 dist 9.718 6.87234 10.1799 9.25184 12.162 13.2257 numMergedOcc 0
18 mol 210 unq 2 iso 0 dist 9.718 8.72017 5.48047 9.49242 12.6983 10.8507 numMergedOcc 0
19 mol 210 unq 3 iso 0 dist 9.718 8.72017 5.48047 9.25184 12.162 14.6808 numMergedOcc 0
20 mol 210 unq 4 iso 0 dist 8.61629 6.87234 8.05096 9.49242 9.16249 5.35359 numMergedOcc 0
21 mol 210 unq 5 iso 0 dist 8.61629 6.87234 8.05096 9.25184 9.9492 13.2257 numMergedOcc 0
22 mol 210 unq 6 iso 0 dist 8.61629 8.72017 6.25356 9.49242 9.16249 10.8507 numMergedOcc 0
23 mol 210 unq 7 iso 0 dist 8.61629 8.72017 6.25356 9.25184 9.9492 14.6808 numMergedOcc 0
24 mol 233 unq 0 iso 0 dist 7.74693 7.83363 5.3674 9.69772 9.30391 13.4452 numMergedOcc 0
25 mol 244 unq 0 iso 0 dist 5.06669 9.7208 12.8067 5.16859 3.62882 14.6378 numMergedOcc 0
26 mol 244 unq 1 iso 0 dist 5.06669 9.7208 12.8067 4.79207 7.8506 12.9566 numMergedOcc 0
27 mol 244 unq 2 iso 0 dist 5.65248 9.7208 13.5223 5.16859 5.2503 14.6378 numMergedOcc 0
28 mol 244 unq 3 iso 0 dist 5.65248 9.7208 13.5223 4.79207 3.66626 12.9566 numMergedOcc 0
29 mol 285 unq 0 iso 0 dist 8.12306 8.96754 10.7671 6.73396 5.00843 6.01515 numMergedOcc 0
