0 mol 5 unq 0 iso 0 dist 9.83318 3.99762 8.97274 13.345 9.22027 11.3755 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 9.83318 8.19993 7.5815 13.345 9.22027 5.90479 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 7.74463 5.92541 7.82875 13.9362 7.14537 10.9618 numMergedOcc 0
3 mol 10 unq 1 iso 0 dist 7.74463 5.92541 7.82875 13.0737 9.39486 9.69394 numMergedOcc 0
4 mol 53 unq 0 iso 0 dist 8.79235 12.2389 5.63499 5.38541 5.40489 7.73958 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.12959 6.6711 6.55112 10.3042 9.59729 6.38237 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 7.7288 9.88522 6.30814 12.4136 8.7515 4.0291 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 8.52436 11.0751 5.58681 10.6421 8.16401 4.21899 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.7105 5.20083 8.89346 5.94578 7.48208 4.72614 numMergedOcc 0
9 mol 157 unq 0 iso 0 dist 8.8201 4.87585 8.9078 9.49026 8.40821 7.68025 numMergedOcc 0
10 mol 157 unq 1 iso 0 dist 8.8201 11.1291 6.07906 9.49026 8.40821 5.43167 numMergedOcc 0
11 mol 162 unq 0 iso 0 dist 6.51243 7.51816 9.65468 8.39434 9.43904 6.69138 numMergedOcc 0
12 mol 162 unq 1 iso 0 dist 6.51243 7.51816 9.65468 4.92282 7.01095 6.82744 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 8.39573 8.66115 5.97971 10.7348 9.92831 8.70425 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 8.39573 6.02642 8.72747 10.7348 9.92831 8.28396 numMergedOcc 0
15 mol 181 unq 2 iso 0 dist 8.39573 7.62243 8.23845 10.7348 9.92831 4.60202 numMergedOcc 0
16 mol 195 unq 0 iso 0 dist 7.75518 10.5362 6.65077 7.83764 6.396 6.04748 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 9.867 5.11732 8.92597 9.78747 5.03818 10.023 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 9.867 5.11732 8.92597 10.1599 6.40171 6.22981 numMergedOcc 0
19 mol 205 unq 2 iso 0 dist 9.867 17.3532 7.53734 9.78747 5.03818 10.1222 numMergedOcc 0
20 mol 205 unq 3 iso 0 dist 9.867 17.3532 7.53734 10.1599 6.40171 10.4922 numMergedOcc 0
21 mol 205 unq 4 iso 0 dist 9.867 18.2651 9.79826 9.78747 5.03818 9.99561 numMergedOcc 0
22 mol 205 unq 5 iso 0 dist 9.867 18.2651 9.79826 10.1599 6.40171 15.2328 numMergedOcc 0
23 mol 217 unq 0 iso 0 dist 6.58871 7.49329 8.99484 5.27109 9.37602 4.76575 numMergedOcc 0
24 mol 217 unq 1 iso 0 dist 6.58871 7.49329 8.99484 7.51531 8.26522 11.715 numMergedOcc 0
25 mol 225 unq 0 iso 0 dist 7.50697 4.37243 8.69052 10.685 6.46405 12.7959 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 9.67281 7.18715 5.52788 5.36582 4.66186 4.70535 numMergedOcc 0
27 mol 251 unq 0 iso 0 dist 8.07576 4.72905 9.65275 5.04918 9.02417 4.66259 numMergedOcc 0
28 mol 251 unq 1 iso 0 dist 6.17824 10.4064 9.65275 12.3351 9.02417 4.66259 numMergedOcc 0
