0 mol 0 unq 0 iso 0 dist 8.27602 6.79669 5.88757 6.44948 5.56852 6.80636 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.27602 14.5276 8.66548 19.1929 12.9149 9.23213 numMergedOcc 0
2 mol 1 unq 0 iso 0 dist 7.68226 5.972 5.96833 11.5768 4.50502 8.56884 numMergedOcc 0
3 mol 18 unq 0 iso 0 dist 8.43157 9.13179 5.04478 14.5339 6.11048 8.52106 numMergedOcc 0
4 mol 18 unq 1 iso 0 dist 8.43157 9.13179 5.04478 11.5617 4.52259 6.32451 numMergedOcc 0
5 mol 20 unq 0 iso 0 dist 7.61139 5.48326 5.9809 10.8304 5.48225 6.4934 numMergedOcc 0
6 mol 20 unq 1 iso 0 dist 7.61139 5.48326 5.9809 9.70606 7.06175 6.93199 numMergedOcc 0
7 mol 20 unq 2 iso 0 dist 6.54552 5.48326 5.83917 10.8304 9.03258 6.4934 numMergedOcc 0
8 mol 20 unq 3 iso 0 dist 6.54552 5.48326 5.83917 9.70606 3.79581 6.93199 numMergedOcc 0
9 mol 45 unq 0 iso 0 dist 8.81519 11.5096 5.81001 19.9215 12.466 9.20119 numMergedOcc 0
10 mol 54 unq 0 iso 0 dist 8.80745 4.94373 5.64432 5.94778 5.95511 6.91734 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 9.86502 7.35365 9.437 12.2812 7.07356 7.321 numMergedOcc 0
12 mol 86 unq 0 iso 0 dist 6.56673 5.82666 5.88159 10.4544 5.9022 7.79359 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 6.45477 6.11011 7.05845 11.7647 7.63293 7.31468 numMergedOcc 0
14 mol 143 unq 1 iso 0 dist 6.45477 6.11011 7.05845 13.6832 11.903 7.7056 numMergedOcc 0
15 mol 182 unq 0 iso 0 dist 7.21988 5.59602 5.73635 10.7505 4.88992 6.73313 numMergedOcc 0
16 mol 182 unq 1 iso 0 dist 8.14376 5.54202 5.73635 11.0828 4.88992 6.73313 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 9.51368 11.8853 6.11135 14.5021 5.97754 5.48258 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 9.51368 11.097 6.54481 14.5021 5.97754 6.15769 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 9.21416 5.34316 8.98681 11.1838 10.9161 7.82944 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 8.83742 12.8297 5.73591 12.5309 5.13732 8.19953 numMergedOcc 0
21 mol 228 unq 0 iso 0 dist 9.94849 14.2566 7.86746 17.8697 9.39743 7.77367 numMergedOcc 0
22 mol 228 unq 1 iso 0 dist 9.94849 14.2566 7.86746 16.5301 6.65033 8.20909 numMergedOcc 0
23 mol 228 unq 2 iso 0 dist 9.94849 14.2566 7.86746 13.9955 6.19376 7.94506 numMergedOcc 0
24 mol 228 unq 3 iso 0 dist 9.94849 14.2566 7.86746 20.9732 11.8243 8.15494 numMergedOcc 0
25 mol 234 unq 0 iso 0 dist 9.00657 6.14528 6.96257 13.8661 15.9732 9.5707 numMergedOcc 0
26 mol 234 unq 1 iso 0 dist 7.87591 5.43106 6.96257 12.5861 15.9732 9.5707 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 8.28643 6.23871 7.39547 5.24313 5.71717 7.67322 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 8.28643 11.3884 7.24334 10.2654 6.82305 7.49471 numMergedOcc 0
29 mol 238 unq 2 iso 0 dist 8.28643 11.3884 7.24334 5.24313 5.71717 7.19008 numMergedOcc 0
30 mol 238 unq 3 iso 0 dist 9.85851 9.53225 9.38131 13.2962 13.378 5.38637 numMergedOcc 0
31 mol 238 unq 4 iso 0 dist 9.85851 9.53225 9.38131 10.9933 10.4966 6.55759 numMergedOcc 0
32 mol 238 unq 5 iso 0 dist 9.85851 4.53313 6.85253 10.7233 5.79187 8.96531 numMergedOcc 0
33 mol 238 unq 6 iso 0 dist 9.85851 4.53313 6.85253 10.9933 10.4966 7.02475 numMergedOcc 0
34 mol 238 unq 7 iso 0 dist 6.83837 5.05105 5.43613 10.5481 12.7938 7.49471 numMergedOcc 0
35 mol 238 unq 8 iso 0 dist 6.83837 5.05105 5.43613 11.963 11.0772 7.19008 numMergedOcc 0
36 mol 248 unq 0 iso 0 dist 7.90773 4.11367 5.0345 8.71859 4.58289 6.07192 numMergedOcc 0
