0 mol 9 unq 0 iso 0 dist 8.076 8.88528 7.35972 12.419 13.7528 6.59455 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 6.59455 13.7528 7.35972 12.419 8.88528 8.076 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 6.32226 4.58685 7.35972 10.5473 13.7528 6.59455 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 6.59455 13.7528 7.35972 10.5473 4.58685 6.32226 numMergedOcc 0
4 mol 10 unq 0 iso 0 dist 5.40169 9.61828 5.59965 13.3259 7.99067 8.00369 numMergedOcc 0
5 mol 10 unq 0 iso 1 dist 8.00369 7.99067 5.59965 13.3259 9.61828 5.40169 numMergedOcc 0
6 mol 11 unq 0 iso 0 dist 8.70462 7.18398 7.5459 14.1195 7.51068 8.7143 numMergedOcc 0
7 mol 11 unq 0 iso 1 dist 8.7143 7.51068 7.5459 14.1195 7.18398 8.70462 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 9.69752 11.9395 8.00171 15.8538 7.72688 6.2004 numMergedOcc 0
9 mol 24 unq 0 iso 1 dist 6.2004 7.72688 8.00171 15.8538 11.9395 9.69752 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 6.2004 11.8207 6.72323 14.8246 10.0715 4.90592 numMergedOcc 0
11 mol 24 unq 1 iso 1 dist 4.90592 10.0715 6.72323 14.8246 11.8207 6.2004 numMergedOcc 0
12 mol 24 unq 2 iso 0 dist 6.2004 11.8207 6.72323 15.8538 11.9395 9.36461 numMergedOcc 0
13 mol 24 unq 2 iso 1 dist 9.36461 11.9395 6.72323 15.8538 11.8207 6.2004 numMergedOcc 0
14 mol 26 unq 0 iso 0 dist 9.5053 5.66783 6.56527 11.9636 5.45023 6.74848 numMergedOcc 0
15 mol 26 unq 0 iso 1 dist 6.74848 5.45023 6.56527 11.9636 5.66783 9.5053 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 7.39179 9.98219 9.91054 9.01011 9.01596 8.29345 numMergedOcc 0
17 mol 92 unq 0 iso 1 dist 8.29345 9.01596 9.91054 9.01011 9.98219 7.39179 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 5.39061 5.67023 5.87084 14.2709 11.6708 8.92828 numMergedOcc 0
19 mol 131 unq 0 iso 1 dist 8.92828 11.6708 5.87084 14.2709 5.67023 5.39061 numMergedOcc 0
20 mol 131 unq 1 iso 0 dist 5.39061 5.67023 5.87084 7.76594 5.66194 5.44303 numMergedOcc 0
21 mol 131 unq 1 iso 1 dist 5.44303 5.66194 5.87084 7.76594 5.67023 5.39061 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 7.64956 9.53115 6.83404 11.3342 5.38571 4.46777 numMergedOcc 0
23 mol 141 unq 0 iso 1 dist 4.46777 5.38571 6.83404 11.3342 9.53115 7.64956 numMergedOcc 0
24 mol 171 unq 0 iso 0 dist 7.32555 9.54524 5.25109 16.211 9.18337 8.1536 numMergedOcc 0
25 mol 171 unq 0 iso 1 dist 8.1536 9.18337 5.25109 16.211 9.54524 7.32555 numMergedOcc 0
26 mol 193 unq 0 iso 0 dist 8.67745 6.03632 9.40801 5.44396 3.98356 7.8141 numMergedOcc 0
27 mol 193 unq 0 iso 1 dist 7.8141 3.98356 9.40801 5.44396 6.03632 8.67745 numMergedOcc 0
28 mol 193 unq 1 iso 0 dist 7.8141 3.98356 9.40801 6.22972 7.58433 9.41624 numMergedOcc 0
29 mol 193 unq 1 iso 1 dist 9.41624 7.58433 9.40801 6.22972 3.98356 7.8141 numMergedOcc 0
30 mol 194 unq 0 iso 0 dist 6.37788 8.43261 6.1886 5.52678 5.92931 5.68348 numMergedOcc 0
31 mol 194 unq 0 iso 1 dist 5.68348 5.92931 6.1886 5.52678 8.43261 6.37788 numMergedOcc 0
32 mol 194 unq 1 iso 0 dist 5.68348 5.92931 6.1886 9.81666 13.8424 8.7028 numMergedOcc 0
33 mol 194 unq 1 iso 1 dist 8.7028 13.8424 6.1886 9.81666 5.92931 5.68348 numMergedOcc 0
34 mol 232 unq 0 iso 0 dist 6.57921 13.8622 9.8664 17.6303 12.721 8.28466 numMergedOcc 0
35 mol 232 unq 0 iso 1 dist 8.28466 12.721 9.8664 17.6303 13.8622 6.57921 numMergedOcc 0
36 mol 237 unq 0 iso 0 dist 5.06628 5.90415 8.10254 10.3656 9.25593 9.54499 numMergedOcc 0
37 mol 237 unq 0 iso 1 dist 9.54499 9.25593 8.10254 10.3656 5.90415 5.06628 numMergedOcc 0
38 mol 237 unq 1 iso 0 dist 5.06628 5.90415 8.10254 7.63812 6.26206 5.6703 numMergedOcc 0
39 mol 237 unq 1 iso 1 dist 5.6703 6.26206 8.10254 7.63812 5.90415 5.06628 numMergedOcc 0
