0 mol 0 unq 0 iso 0 dist 8.82108 7.55723 5.13216 7.48581 8.99617 10.4388 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 9.3147 7.78708 9.38012 4.93362 8.41365 10.2326 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 9.3147 7.84393 10.5285 4.93362 8.41365 6.36455 numMergedOcc 0
3 mol 38 unq 0 iso 0 dist 5.86243 7.57586 5.39129 8.4072 8.10697 7.05737 numMergedOcc 0
4 mol 38 unq 1 iso 0 dist 5.86243 7.57586 5.39129 8.61778 9.85714 12.5091 numMergedOcc 0
5 mol 38 unq 2 iso 0 dist 7.55357 8.86547 5.29179 9.36454 8.10697 7.54179 numMergedOcc 0
6 mol 38 unq 3 iso 0 dist 7.55357 8.86547 5.29179 5.97259 9.85714 11.7753 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 7.19203 7.14865 9.51008 4.47546 9.24119 8.92601 numMergedOcc 0
8 mol 103 unq 0 iso 0 dist 7.57822 7.55805 6.35372 8.4354 8.21549 9.44561 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 8.24549 6.85677 5.19198 10.7303 9.09364 9.66471 numMergedOcc 0
10 mol 162 unq 0 iso 0 dist 8.954 9.42819 8.35998 12.1377 7.34321 15.0931 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 6.43585 6.86297 5.43796 7.55335 9.39664 9.98215 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 9.45817 8.03597 11.9053 5.57831 9.39664 13.1487 numMergedOcc 0
13 mol 206 unq 0 iso 0 dist 8.93927 5.79186 11.2111 11.8096 4.58248 12.292 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 7.86207 8.9077 4.90657 5.41948 6.50846 5.45036 numMergedOcc 0
15 mol 223 unq 0 iso 0 dist 9.14789 9.94212 19.0281 7.84356 9.35643 15.038 numMergedOcc 0
16 mol 223 unq 1 iso 0 dist 9.14789 7.34316 11.2364 7.84356 9.35643 14.4359 numMergedOcc 0
17 mol 223 unq 2 iso 0 dist 7.80764 9.94212 4.67731 6.33419 6.82737 6.13306 numMergedOcc 0
18 mol 223 unq 3 iso 0 dist 7.80764 7.34316 11.4951 6.33419 6.82737 11.147 numMergedOcc 0
19 mol 223 unq 4 iso 0 dist 5.75896 9.94212 7.19485 6.33419 6.80967 6.13306 numMergedOcc 0
20 mol 223 unq 5 iso 0 dist 5.75896 7.34316 5.18719 6.33419 6.80967 11.147 numMergedOcc 0
21 mol 230 unq 0 iso 0 dist 6.23346 8.56954 5.53578 6.46721 5.51163 9.09271 numMergedOcc 0
22 mol 230 unq 1 iso 0 dist 6.23346 9.23938 7.7551 6.46721 5.51163 7.44838 numMergedOcc 0
23 mol 230 unq 2 iso 0 dist 6.88683 8.33847 6.87235 5.02022 8.02209 6.41286 numMergedOcc 0
24 mol 230 unq 3 iso 0 dist 7.43793 9.12305 6.87235 9.81615 8.02209 6.41286 numMergedOcc 0
25 mol 230 unq 4 iso 0 dist 7.43793 9.30906 5.4427 9.81615 8.02209 10.5345 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 5.92175 7.47238 4.90814 6.4535 6.29118 7.83711 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 7.38609 7.93727 6.25956 3.94313 7.22411 7.75722 numMergedOcc 0
28 mol 248 unq 0 iso 0 dist 8.11968 6.44967 4.53213 4.01898 8.46518 6.17052 numMergedOcc 0
29 mol 274 unq 0 iso 0 dist 6.12202 9.81087 7.96313 6.35512 9.77134 15.8021 numMergedOcc 0
30 mol 280 unq 0 iso 0 dist 7.02503 8.40961 8.10688 9.96008 8.66271 15.8506 numMergedOcc 0
31 mol 280 unq 1 iso 0 dist 9.18164 9.42213 8.10688 13.7153 8.66271 15.8506 numMergedOcc 0
