0 mol 28 unq 0 iso 0 dist 8.24316 6.76158 11.1346 4.3475 7.7871 8.53424 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.24316 7.423 10.8275 4.3475 7.7871 7.08766 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.24316 5.89257 7.90018 4.3475 7.7871 4.82199 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 9.29561 7.32472 7.65753 4.61111 10.5563 4.75881 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 9.42975 7.47607 13.0684 5.72955 12.4451 4.46067 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 5.68303 6.82511 5.08181 3.97203 5.26566 7.7485 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 7.52544 8.26805 5.50078 6.27527 9.0369 7.66068 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 7.52544 9.68577 11.6055 6.27527 9.0369 9.5043 numMergedOcc 0
8 mol 76 unq 2 iso 0 dist 8.08674 8.26805 11.6853 6.27527 5.91098 7.66068 numMergedOcc 0
9 mol 76 unq 3 iso 0 dist 8.08674 9.68577 15.0489 6.27527 5.91098 9.5043 numMergedOcc 0
10 mol 76 unq 4 iso 0 dist 8.33694 8.26805 4.94673 6.27527 4.86523 7.66068 numMergedOcc 0
11 mol 76 unq 5 iso 0 dist 8.33694 9.68577 5.78236 6.27527 4.86523 9.5043 numMergedOcc 0
12 mol 90 unq 0 iso 0 dist 8.60438 7.30934 4.77556 4.3421 8.63446 5.24346 numMergedOcc 0
13 mol 93 unq 0 iso 0 dist 7.65028 6.06155 5.08254 7.0652 5.23929 8.71366 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 9.74889 5.91023 7.22521 5.90092 9.45257 6.5816 numMergedOcc 0
15 mol 143 unq 0 iso 0 dist 9.6112 6.91039 7.33175 4.62104 9.9753 4.3855 numMergedOcc 0
16 mol 143 unq 1 iso 0 dist 7.88346 5.24882 5.08025 6.03327 5.33772 4.3855 numMergedOcc 0
17 mol 168 unq 0 iso 0 dist 8.66519 8.47439 12.949 4.18108 11.4113 5.28353 numMergedOcc 0
18 mol 260 unq 0 iso 0 dist 5.16772 7.13397 11.9315 4.38276 6.90472 8.62655 numMergedOcc 0
19 mol 260 unq 1 iso 0 dist 5.16772 5.33278 8.79837 8.90225 13.0633 6.48099 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 9.51286 6.9943 5.79323 4.58167 6.48382 6.96692 numMergedOcc 0
21 mol 266 unq 1 iso 0 dist 9.51286 7.36685 7.52317 7.98379 14.5631 7.8598 numMergedOcc 0
22 mol 266 unq 2 iso 0 dist 9.51286 7.36685 7.52317 4.58167 6.48382 8.25286 numMergedOcc 0
23 mol 266 unq 3 iso 0 dist 9.51286 9.03099 9.52953 7.98379 14.5631 7.80711 numMergedOcc 0
24 mol 266 unq 4 iso 0 dist 9.51286 9.03099 9.52953 4.58167 6.48382 9.9965 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 9.60879 7.34927 14.4215 9.69757 10.4606 7.98956 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 9.60879 7.34927 14.4215 10.2113 13.1741 5.86185 numMergedOcc 0
27 mol 277 unq 2 iso 0 dist 9.60879 7.34927 14.4215 8.92993 17.0639 6.79748 numMergedOcc 0
28 mol 277 unq 3 iso 0 dist 6.92271 7.34927 5.11865 9.69757 4.1545 7.98956 numMergedOcc 0
29 mol 277 unq 4 iso 0 dist 6.92271 7.34927 5.11865 10.2113 4.25172 5.86185 numMergedOcc 0
30 mol 277 unq 5 iso 0 dist 6.92271 7.34927 5.11865 8.92993 11.2914 6.79748 numMergedOcc 0
31 mol 277 unq 6 iso 0 dist 8.62666 7.54315 5.11865 7.55695 4.1545 7.98956 numMergedOcc 0
32 mol 277 unq 7 iso 0 dist 8.62666 7.54315 5.11865 6.26644 4.25172 5.86185 numMergedOcc 0
33 mol 277 unq 8 iso 0 dist 8.62666 7.54315 5.11865 10.4453 11.2914 6.79748 numMergedOcc 0
34 mol 281 unq 0 iso 0 dist 8.80931 7.82358 14.7035 12.9503 15.5913 7.90368 numMergedOcc 0
35 mol 281 unq 1 iso 0 dist 8.80931 7.82358 14.7035 9.45924 16.9945 6.69267 numMergedOcc 0
