0 mol 8 unq 0 iso 0 dist 4.92734 9.91124 7.3915 16.8935 14.1378 8.77457 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.16444 6.84888 7.05346 10.26 8.50424 8.076 numMergedOcc 0
2 mol 13 unq 0 iso 0 dist 6.44408 6.00386 5.78148 5.99004 4.56335 7.98679 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 8.96238 6.5705 6.77886 13.2748 10.0962 6.99108 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.124 16.0036 8.73253 13.2119 6.56633 6.48232 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 5.56964 8.88275 4.79949 9.61367 4.3931 6.66954 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 5.56964 7.18485 7.27693 4.73362 6.45686 9.75201 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 8.05602 14.9908 7.26086 13.251 7.06961 8.43352 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 7.00285 10.8678 5.88354 6.04768 4.67519 6.62972 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 8.02354 13.5865 5.88354 9.40173 4.67519 6.62972 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 9.00692 9.70366 8.8368 13.9717 14.5457 6.62972 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 6.26542 7.63357 8.8368 13.1306 14.5457 6.62972 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 8.92577 7.04774 7.12017 15.3732 9.75737 9.5669 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 9.56324 10.3606 7.12017 6.36749 9.75737 9.5669 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 8.88255 6.89245 7.77116 14.0057 7.20179 8.8562 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 8.88255 6.89245 7.77116 8.61574 9.89358 7.91683 numMergedOcc 0
16 mol 119 unq 2 iso 0 dist 7.85527 5.53632 7.99623 8.05937 7.45148 9.9151 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 9.33945 11.8905 8.86329 17.5551 10.3369 8.92828 numMergedOcc 0
18 mol 131 unq 1 iso 0 dist 9.33945 11.8905 8.86329 12.7271 7.7567 5.56627 numMergedOcc 0
19 mol 131 unq 2 iso 0 dist 8.99949 14.8405 9.29384 19.8362 13.1439 5.44303 numMergedOcc 0
20 mol 131 unq 3 iso 0 dist 8.99949 14.8405 9.29384 20.1653 13.7237 8.50562 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 7.34465 7.97183 6.69515 12.3922 10.1386 4.46777 numMergedOcc 0
22 mol 141 unq 1 iso 0 dist 7.34465 7.97183 6.69515 13.2114 7.42649 6.94988 numMergedOcc 0
23 mol 141 unq 2 iso 0 dist 9.47675 7.97183 7.86572 12.3922 10.1432 4.46777 numMergedOcc 0
24 mol 141 unq 3 iso 0 dist 9.47675 7.97183 7.86572 13.2114 9.43674 6.94988 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 6.15806 6.37333 5.60393 14.7915 14.4523 9.17946 numMergedOcc 0
26 mol 218 unq 0 iso 0 dist 4.851 11.3699 9.20961 14.8197 10.9043 8.3087 numMergedOcc 0
27 mol 220 unq 0 iso 0 dist 6.21273 6.71715 5.45036 7.58118 7.11498 5.37796 numMergedOcc 0
28 mol 222 unq 0 iso 0 dist 8.7419 7.26742 7.862 13.4892 7.75466 9.08955 numMergedOcc 0
29 mol 222 unq 1 iso 0 dist 8.7419 7.26742 7.862 13.509 12.1951 8.88664 numMergedOcc 0
30 mol 222 unq 2 iso 0 dist 8.7419 7.26742 7.862 13.6 11.6161 7.16819 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 7.71761 8.14937 5.87815 13.8004 6.67321 7.95359 numMergedOcc 0
32 mol 230 unq 0 iso 0 dist 5.62804 10.1088 6.41286 9.70309 6.33877 8.34416 numMergedOcc 0
33 mol 230 unq 1 iso 0 dist 5.62804 10.1088 6.41286 10.5172 5.0515 6.34832 numMergedOcc 0
34 mol 232 unq 0 iso 0 dist 9.95045 16.7146 7.83711 11.8822 4.9377 6.57921 numMergedOcc 0
35 mol 239 unq 0 iso 0 dist 8.7017 5.71442 8.67805 6.47859 5.05321 5.0804 numMergedOcc 0
36 mol 239 unq 1 iso 0 dist 9.51583 8.88857 8.67805 10.6162 5.05321 5.0804 numMergedOcc 0
37 mol 258 unq 0 iso 0 dist 8.21585 12.2193 7.99477 20.2408 13.2927 9.91199 numMergedOcc 0
38 mol 264 unq 0 iso 0 dist 6.8902 5.86656 6.14323 6.12402 5.24812 7.21655 numMergedOcc 0
