0 mol 11 unq 0 iso 0 dist 9.74528 11.5768 4.79838 14.6629 7.16699 6.35021 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 6.80828 4.78536 5.34723 11.0562 9.09595 8.69877 numMergedOcc 0
2 mol 37 unq 0 iso 0 dist 4.07334 11.0522 8.61124 10.0166 6.15909 9.49441 numMergedOcc 0
3 mol 42 unq 0 iso 0 dist 7.53194 6.79455 9.28732 5.52834 4.62559 6.51963 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 9.0681 13.2911 9.40835 11.499 4.91335 9.15766 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 7.02693 5.14919 7.78587 8.44279 4.40015 6.96647 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.58248 15.124 7.78587 10.6837 4.40015 6.96647 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 6.65972 13.7118 9.11491 8.64686 4.13187 8.17967 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 7.4113 5.27861 8.61909 10.3016 13.1839 9.9778 numMergedOcc 0
9 mol 114 unq 1 iso 0 dist 7.4113 5.27861 8.61909 13.4969 10.9333 9.36502 numMergedOcc 0
10 mol 114 unq 2 iso 0 dist 8.53631 15.2678 8.61909 21.451 13.1839 9.9778 numMergedOcc 0
11 mol 114 unq 3 iso 0 dist 8.53631 15.2678 8.61909 12.7251 10.9333 9.36502 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 7.75833 4.43386 9.24546 11.4674 9.30843 9.50228 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 8.06007 14.9849 7.6077 12.4483 7.09629 7.92974 numMergedOcc 0
14 mol 193 unq 0 iso 0 dist 9.13587 11.6584 6.17074 11.0513 4.8988 9.53066 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 8.77524 5.64245 4.51124 6.20044 6.42785 6.35305 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 8.77524 5.64245 4.51124 8.41232 7.66776 9.23348 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 8.99104 6.59614 5.50017 14.657 10.7337 9.84931 numMergedOcc 0
18 mol 239 unq 1 iso 0 dist 8.99104 14.2646 9.99181 14.657 10.7337 5.58605 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 6.48382 12.9391 9.6721 9.62494 4.39553 9.85022 numMergedOcc 0
