0 mol 1 unq 0 iso 0 dist 9.48433 6.28655 8.56884 12.6995 6.09918 8.78328 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 9.73896 7.06216 7.06308 11.1814 6.06454 5.94047 numMergedOcc 0
2 mol 45 unq 1 iso 0 dist 6.96797 7.06216 6.34173 11.1814 9.44459 5.94047 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 8.52979 13.1241 7.18176 8.23954 9.66501 8.75928 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.28058 10.6264 7.13087 11.8984 5.16364 5.69513 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 7.24378 11.2646 8.97793 7.63473 4.79949 6.81799 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 7.24378 11.2646 8.97793 5.23489 7.27693 6.42322 numMergedOcc 0
7 mol 76 unq 2 iso 0 dist 7.24378 9.43349 8.19682 7.63473 4.79949 8.83525 numMergedOcc 0
8 mol 76 unq 3 iso 0 dist 7.24378 9.43349 8.19682 5.23489 7.27693 5.77727 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 6.44766 8.49634 6.91348 13.6401 9.29384 6.01893 numMergedOcc 0
10 mol 131 unq 1 iso 0 dist 6.44766 5.0492 9.51418 13.6401 9.29384 15.1974 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 8.5778 17.082 8.6355 7.63514 5.53031 11.9544 numMergedOcc 0
12 mol 183 unq 0 iso 0 dist 9.60878 6.06625 7.01383 4.5307 8.54827 5.45974 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 9.65951 10.8926 5.90931 13.1567 6.85441 10.7974 numMergedOcc 0
14 mol 204 unq 1 iso 0 dist 9.14829 5.63477 5.90931 13.1156 6.85441 10.7974 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 9.33638 11.401 6.97182 13.6007 6.38157 9.26037 numMergedOcc 0
16 mol 214 unq 1 iso 0 dist 9.33638 6.39677 6.1175 13.6007 6.38157 11.353 numMergedOcc 0
17 mol 218 unq 0 iso 0 dist 9.95084 4.99098 8.53199 8.06305 8.06216 5.31559 numMergedOcc 0
18 mol 218 unq 1 iso 0 dist 9.95084 4.99098 8.53199 12.0325 5.76954 8.21424 numMergedOcc 0
19 mol 218 unq 2 iso 0 dist 9.95084 4.99098 8.53199 9.24887 6.29511 10.1198 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 9.05754 9.9115 6.84247 11.3947 5.45036 5.49803 numMergedOcc 0
21 mol 220 unq 1 iso 0 dist 9.05754 9.9115 6.84247 5.70392 9.97586 7.44322 numMergedOcc 0
22 mol 220 unq 2 iso 0 dist 9.05754 5.53308 6.99002 11.3947 5.45036 11.2241 numMergedOcc 0
23 mol 220 unq 3 iso 0 dist 9.05754 5.53308 6.99002 5.70392 9.97586 9.68359 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 8.58958 6.99882 6.25105 14.2602 8.24186 13.0974 numMergedOcc 0
25 mol 234 unq 1 iso 0 dist 9.70004 7.22134 6.25105 17.7658 8.24186 13.0974 numMergedOcc 0
26 mol 234 unq 2 iso 0 dist 7.17987 5.04225 9.5707 14.2602 7.5366 16.5499 numMergedOcc 0
27 mol 234 unq 3 iso 0 dist 7.17987 6.99882 7.85175 14.2602 7.5366 13.0974 numMergedOcc 0
28 mol 253 unq 0 iso 0 dist 9.75753 12.2787 7.19465 14.9103 7.77998 14.5407 numMergedOcc 0
29 mol 257 unq 0 iso 0 dist 6.44188 5.02458 7.27505 7.39014 9.69696 5.04668 numMergedOcc 0
30 mol 257 unq 1 iso 0 dist 5.13633 8.75221 7.27505 9.87316 9.69696 5.04668 numMergedOcc 0
31 mol 257 unq 2 iso 0 dist 6.50405 5.02339 7.14834 7.86233 9.95546 5.21218 numMergedOcc 0
