0 mol 32 unq 0 iso 0 dist 7.6082 13.5196 8.89682 3.82644 6.93709 10.2576 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 9.24687 4.38241 8.89682 7.47409 6.93709 10.2576 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.86877 7.50273 7.99399 3.44412 9.5645 5.87697 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 8.34361 4.94741 6.10175 2.97898 9.63616 7.25076 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 6.04611 7.25142 9.68277 7.21901 6.50622 4.90647 numMergedOcc 0
5 mol 78 unq 1 iso 0 dist 6.04611 7.25142 9.68277 5.83035 4.45433 7.30597 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 8.04448 10.9027 3.59451 9.39313 5.24616 4.05759 numMergedOcc 0
7 mol 117 unq 0 iso 0 dist 8.85708 8.3896 5.24519 13.3692 8.16392 5.11935 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 4.69926 9.75051 8.26291 8.8615 8.12319 4.81304 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 7.46875 6.68239 5.50364 3.97269 8.44004 5.51548 numMergedOcc 0
10 mol 131 unq 1 iso 0 dist 7.46875 7.74794 8.7301 3.97269 8.44004 5.61122 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 8.53875 16.3227 9.98097 12.4943 7.43045 4.45608 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 8.53875 16.3227 9.98097 6 7.74168 12.8725 numMergedOcc 0
13 mol 141 unq 2 iso 0 dist 8.53875 16.3227 9.98097 8.90391 8.16507 10.9613 numMergedOcc 0
14 mol 175 unq 0 iso 0 dist 8.43256 4.85698 8.39634 10.3387 7.19751 10.8953 numMergedOcc 0
15 mol 175 unq 1 iso 0 dist 8.14202 5.60933 8.39634 7.28678 7.19751 10.8953 numMergedOcc 0
16 mol 212 unq 0 iso 0 dist 8.85976 5.08998 6.41916 6.22585 9.20546 4.29261 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 8.21479 8.47021 4.46314 9.5606 4.76819 3.79439 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 9.87224 7.04644 4.21935 13.7613 7.99963 7.72768 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 6.23198 8.67927 8.66784 3.43711 4.20369 8.83524 numMergedOcc 0
20 mol 260 unq 1 iso 0 dist 6.23198 8.67927 8.66784 5.84323 6.4165 8.0863 numMergedOcc 0
21 mol 260 unq 2 iso 0 dist 6.23198 8.55761 8.3298 3.43711 4.20369 9.7119 numMergedOcc 0
22 mol 260 unq 3 iso 0 dist 6.23198 8.55761 8.3298 5.84323 6.4165 10.9484 numMergedOcc 0
23 mol 260 unq 4 iso 0 dist 8.82216 5.31221 8.66784 7.63469 4.20369 8.83524 numMergedOcc 0
24 mol 260 unq 5 iso 0 dist 8.82216 5.31221 8.66784 8.31902 6.4165 8.0863 numMergedOcc 0
25 mol 260 unq 6 iso 0 dist 8.82216 5.33348 8.3298 7.63469 4.20369 9.7119 numMergedOcc 0
26 mol 260 unq 7 iso 0 dist 8.82216 5.33348 8.3298 8.31902 6.4165 10.9484 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 7.67032 15.5265 7.88102 9.78358 5.16266 8.61444 numMergedOcc 0
28 mol 279 unq 1 iso 0 dist 7.67032 14.5929 7.93694 9.78358 5.16266 6.1215 numMergedOcc 0
29 mol 283 unq 0 iso 0 dist 9.69083 12.4856 6.15136 13.6006 9.33601 11.413 numMergedOcc 0
30 mol 283 unq 1 iso 0 dist 5.96202 5.49773 6.15136 6.35533 9.33601 11.413 numMergedOcc 0
31 mol 283 unq 2 iso 0 dist 9.55068 5.8402 6.15136 13.9497 9.33601 11.413 numMergedOcc 0
