0 mol 13 unq 0 iso 0 dist 6.44408 5.99004 4.56335 6.00386 5.78148 7.98679 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 5.56964 4.73362 6.45686 8.88275 4.79949 10.489 numMergedOcc 0
2 mol 76 unq 1 iso 0 dist 5.56964 4.73362 6.45686 7.18485 7.27693 9.75201 numMergedOcc 0
3 mol 76 unq 2 iso 0 dist 5.56964 9.61367 4.3931 8.88275 4.79949 6.66954 numMergedOcc 0
4 mol 76 unq 3 iso 0 dist 5.56964 9.61367 4.3931 7.18485 7.27693 11.1126 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 8.05602 8.31266 15.089 14.9908 7.26086 20.8579 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 8.05602 8.51459 13.8849 14.9908 7.26086 18.8158 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 7.00285 6.04768 4.67519 10.8678 5.88354 6.62972 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 8.02354 9.40173 4.67519 13.5865 5.88354 6.62972 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 9.56324 6.36749 9.75737 6.95888 9.00544 12.2657 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 9.56324 6.36749 9.75737 10.3606 7.12017 9.5669 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 8.88255 8.61574 9.89358 6.89245 7.77116 7.91683 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 7.85527 8.05937 7.45148 8.79034 6.98934 11.9591 numMergedOcc 0
13 mol 119 unq 2 iso 0 dist 7.85527 8.05937 7.45148 5.53632 7.99623 9.9151 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 6.21273 7.58118 7.11498 6.71715 5.45036 5.37796 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 6.21273 7.58118 7.11498 10.938 9.97586 15.9038 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 7.71761 6.65275 6.48027 8.14937 5.87815 11.0303 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 5.67917 8.52162 8.1195 6.85179 6.66971 13.0636 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 8.96639 8.52162 13.49 6.85179 6.4398 13.0636 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 8.7017 6.47859 5.05321 5.71442 8.67805 5.0804 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 6.8902 6.12402 5.24812 5.86656 6.14323 7.21655 numMergedOcc 0
