0 mol 10 unq 0 iso 0 dist 9.03951 6.61479 5.59965 11.0759 9.61828 5.40169 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 9.99647 6.07735 7.5459 7.93279 7.51068 8.7143 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.3964 11.3328 6.72323 17.3277 11.8207 6.2004 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.98417 7.46244 6.56527 6.93801 5.45023 6.74848 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 6.8073 13.8841 8.29857 10.8227 4.16161 7.59316 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 6.42242 13.5334 8.19993 10.4571 4.20245 7.51285 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 6.42242 13.5334 8.19993 19.2916 14.2174 8.86698 numMergedOcc 0
7 mol 60 unq 0 iso 0 dist 8.04272 11.6385 8.97364 8.4928 4.82351 4.65127 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 5.74593 8.27358 5.50508 16.5617 12.2082 9.05259 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 7.92221 11.1384 8.38606 17.6032 12.2604 8.79367 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 7.32407 5.9261 9.73158 10.7732 5.51078 9.98397 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 7.32407 5.9261 9.73158 10.5849 6.84211 9.94578 numMergedOcc 0
12 mol 129 unq 2 iso 0 dist 6.48695 5.9261 7.59327 10.7732 6.80501 9.98397 numMergedOcc 0
13 mol 129 unq 3 iso 0 dist 6.48695 5.9261 7.59327 10.5849 4.53459 9.94578 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 8.36723 5.65957 8.42748 13.3872 12.8357 7.82544 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 8.36723 5.65957 8.42748 9.91403 5.83691 6.18808 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 6.4751 6.4423 5.25109 6.81707 9.18337 8.1536 numMergedOcc 0
17 mol 171 unq 1 iso 0 dist 5.75085 6.4423 8.21618 6.81707 8.83874 8.1536 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 8.09776 4.44921 6.38324 8.63008 7.50057 5.68348 numMergedOcc 0
19 mol 194 unq 1 iso 0 dist 5.4455 4.44921 6.1886 8.63008 5.92931 5.68348 numMergedOcc 0
20 mol 194 unq 2 iso 0 dist 6.57575 8.8996 6.38324 12.3731 7.50057 5.68348 numMergedOcc 0
21 mol 194 unq 3 iso 0 dist 9.30761 8.70006 6.38324 12.8922 7.50057 5.68348 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 9.33514 15.6069 9.73541 12.4705 3.95218 6.51288 numMergedOcc 0
23 mol 232 unq 0 iso 0 dist 8.27761 17.7633 9.8664 20.0749 12.721 8.28466 numMergedOcc 0
24 mol 232 unq 1 iso 0 dist 9.25162 15.3266 9.8664 19.2127 13.8622 6.57921 numMergedOcc 0
