0 mol 19 unq 0 iso 0 dist 4.51865 6.864 7.67038 6.41423 4.64838 4.97119 7.7312 4.44441 10.0411 5.31883 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 6.864 4.51865 7.67038 6.41423 4.97119 4.64838 7.7312 10.0411 4.44441 5.31883 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 7.31767 6.03987 4.51512 8.6653 5.64303 5.82503 7.03372 7.23535 9.92243 10.3493 numMergedOcc 0
3 mol 25 unq 0 iso 1 dist 6.03987 7.31767 4.51512 8.6653 5.82503 5.64303 7.03372 9.92243 7.23535 10.3493 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.80331 6.20293 8.13395 8.95682 6.18002 8.38399 9.02471 12.6657 14.0654 10.4863 numMergedOcc 0
5 mol 43 unq 0 iso 1 dist 6.20293 8.80331 8.13395 8.95682 8.38399 6.18002 9.02471 14.0654 12.6657 10.4863 numMergedOcc 0
6 mol 52 unq 0 iso 0 dist 9.80098 7.34143 9.162 6.31696 11.6682 6.66056 6.22221 8.88455 9.53385 5.88357 numMergedOcc 0
7 mol 52 unq 0 iso 1 dist 7.34143 9.80098 9.162 6.31696 6.66056 11.6682 6.22221 9.53385 8.88455 5.88357 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 7.21955 7.09066 7.12541 9.4278 7.93183 10.7675 4.97525 numMergedOcc 0
9 mol 58 unq 0 iso 1 dist 7.32874 6.81627 5.47421 7.21955 7.12541 7.09066 9.4278 10.7675 7.93183 4.97525 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 6.81627 9.55426 9.7274 7.21955 7.09066 5.74871 9.4278 7.93183 10.5901 4.97525 numMergedOcc 0
11 mol 58 unq 1 iso 1 dist 9.55426 6.81627 9.7274 7.21955 5.74871 7.09066 9.4278 10.5901 7.93183 4.97525 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 7.32874 9.55426 5.90225 7.21955 7.12541 5.74871 9.4278 10.7675 10.5901 4.97525 numMergedOcc 0
13 mol 58 unq 1 iso 1 dist 9.55426 7.32874 5.90225 7.21955 5.74871 7.12541 9.4278 10.5901 10.7675 4.97525 numMergedOcc 0
14 mol 72 unq 0 iso 0 dist 8.8178 9.96708 10.7394 9.27838 15.434 11.6378 4.86198 5.21565 10.7434 13.6186 numMergedOcc 0
15 mol 72 unq 0 iso 1 dist 9.96708 8.8178 10.7394 9.27838 11.6378 15.434 4.86198 10.7434 5.21565 13.6186 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 7.95579 6.19965 4.26409 7.54568 10.2865 8.09967 8.04242 5.76272 8.18948 13.5973 numMergedOcc 0
17 mol 85 unq 0 iso 1 dist 6.19965 7.95579 4.26409 7.54568 8.09967 10.2865 8.04242 8.18948 5.76272 13.5973 numMergedOcc 0
18 mol 85 unq 1 iso 0 dist 7.95579 7.66905 10.7229 7.54568 10.2865 4.65335 8.04242 5.76272 14.113 13.5973 numMergedOcc 0
19 mol 85 unq 1 iso 1 dist 7.66905 7.95579 10.7229 7.54568 4.65335 10.2865 8.04242 14.113 5.76272 13.5973 numMergedOcc 0
20 mol 85 unq 1 iso 0 dist 6.19965 7.66905 6.9948 7.54568 8.09967 4.65335 8.04242 8.18948 14.113 13.5973 numMergedOcc 0
21 mol 85 unq 1 iso 1 dist 7.66905 6.19965 6.9948 7.54568 4.65335 8.09967 8.04242 14.113 8.18948 13.5973 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 9.33898 9.64443 13.1316 8.91313 17.5889 13.3881 8.85601 17.4771 10.2467 4.17255 numMergedOcc 0
23 mol 92 unq 0 iso 1 dist 9.64443 9.33898 13.1316 8.91313 13.3881 17.5889 8.85601 10.2467 17.4771 4.17255 numMergedOcc 0
24 mol 92 unq 1 iso 0 dist 9.33898 9.64443 13.1316 8.16392 10.8304 5.90097 8.85601 17.4771 10.2467 9.96839 numMergedOcc 0
25 mol 92 unq 1 iso 1 dist 9.64443 9.33898 13.1316 8.16392 5.90097 10.8304 8.85601 10.2467 17.4771 9.96839 numMergedOcc 0
26 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 6.65501 4.4057 7.42446 7.92856 8.29813 13.2057 11.6496 numMergedOcc 0
27 mol 98 unq 0 iso 1 dist 6.48948 5.08437 9.51923 6.65501 7.42446 4.4057 7.92856 13.2057 8.29813 11.6496 numMergedOcc 0
28 mol 98 unq 1 iso 0 dist 5.08437 6.10456 8.40073 6.65501 4.4057 9.67482 7.92856 8.29813 12.7473 11.6496 numMergedOcc 0
29 mol 98 unq 1 iso 1 dist 6.10456 5.08437 8.40073 6.65501 9.67482 4.4057 7.92856 12.7473 8.29813 11.6496 numMergedOcc 0
30 mol 98 unq 1 iso 0 dist 6.48948 6.10456 9.42358 6.65501 7.42446 9.67482 7.92856 13.2057 12.7473 11.6496 numMergedOcc 0
31 mol 98 unq 1 iso 1 dist 6.10456 6.48948 9.42358 6.65501 9.67482 7.42446 7.92856 12.7473 13.2057 11.6496 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 7.81386 7.63312 8.85576 5.94469 7.77758 12.5387 8.29467 6.13927 13.2274 3.63671 numMergedOcc 0
33 mol 181 unq 0 iso 1 dist 7.63312 7.81386 8.85576 5.94469 12.5387 7.77758 8.29467 13.2274 6.13927 3.63671 numMergedOcc 0
34 mol 205 unq 0 iso 0 dist 9.61492 7.45763 11.8283 4.8668 9.13652 5.8535 9.31158 10.8636 5.42503 9.43113 numMergedOcc 0
35 mol 205 unq 0 iso 1 dist 7.45763 9.61492 11.8283 4.8668 5.8535 9.13652 9.31158 5.42503 10.8636 9.43113 numMergedOcc 0
36 mol 206 unq 0 iso 0 dist 8.02137 9.774 10.4 7.75885 12.7604 6.45859 6.23183 8.20841 7.83734 9.36584 numMergedOcc 0
37 mol 206 unq 0 iso 1 dist 9.774 8.02137 10.4 7.75885 6.45859 12.7604 6.23183 7.83734 8.20841 9.36584 numMergedOcc 0
38 mol 222 unq 0 iso 0 dist 8.01589 7.7699 10.4579 7.67576 10.3151 7.81022 5.1609 6.91863 8.26703 3.98604 numMergedOcc 0
39 mol 222 unq 0 iso 1 dist 7.7699 8.01589 10.4579 7.67576 7.81022 10.3151 5.1609 8.26703 6.91863 3.98604 numMergedOcc 0
40 mol 222 unq 1 iso 0 dist 8.01589 7.7699 10.4579 9.82371 8.52017 15.7504 5.1609 6.91863 8.26703 7.99695 numMergedOcc 0
41 mol 222 unq 1 iso 1 dist 7.7699 8.01589 10.4579 9.82371 15.7504 8.52017 5.1609 8.26703 6.91863 7.99695 numMergedOcc 0
42 mol 222 unq 2 iso 0 dist 8.01589 7.21333 13.3522 7.67576 10.3151 7.75656 5.1609 6.91863 8.89157 3.98604 numMergedOcc 0
43 mol 222 unq 2 iso 1 dist 7.21333 8.01589 13.3522 7.67576 7.75656 10.3151 5.1609 8.89157 6.91863 3.98604 numMergedOcc 0
44 mol 222 unq 3 iso 0 dist 8.01589 7.21333 13.3522 9.82371 8.52017 16.0949 5.1609 6.91863 8.89157 7.99695 numMergedOcc 0
45 mol 222 unq 3 iso 1 dist 7.21333 8.01589 13.3522 9.82371 16.0949 8.52017 5.1609 8.89157 6.91863 7.99695 numMergedOcc 0
46 mol 222 unq 2 iso 0 dist 7.7699 7.21333 5.24516 7.67576 7.81022 7.75656 5.1609 8.26703 8.89157 3.98604 numMergedOcc 0
47 mol 222 unq 2 iso 1 dist 7.21333 7.7699 5.24516 7.67576 7.75656 7.81022 5.1609 8.89157 8.26703 3.98604 numMergedOcc 0
48 mol 222 unq 3 iso 0 dist 7.7699 7.21333 5.24516 9.82371 15.7504 16.0949 5.1609 8.26703 8.89157 7.99695 numMergedOcc 0
49 mol 222 unq 3 iso 1 dist 7.21333 7.7699 5.24516 9.82371 16.0949 15.7504 5.1609 8.89157 8.26703 7.99695 numMergedOcc 0
50 mol 231 unq 0 iso 0 dist 7.37839 8.40182 4.06055 7.79066 9.0443 12.1512 9.9868 16.456 17.7601 10.5016 numMergedOcc 0
51 mol 231 unq 0 iso 1 dist 8.40182 7.37839 4.06055 7.79066 12.1512 9.0443 9.9868 17.7601 16.456 10.5016 numMergedOcc 0
52 mol 231 unq 1 iso 0 dist 7.37839 8.40182 4.06055 7.79066 9.0443 12.1512 7.3268 6.63423 10.3815 4.02097 numMergedOcc 0
53 mol 231 unq 1 iso 1 dist 8.40182 7.37839 4.06055 7.79066 12.1512 9.0443 7.3268 10.3815 6.63423 4.02097 numMergedOcc 0
54 mol 274 unq 0 iso 0 dist 7.56915 8.49997 6.33073 9.85289 6.20558 11.4459 9.83622 4.24652 7.38951 5.14522 numMergedOcc 0
55 mol 274 unq 0 iso 1 dist 8.49997 7.56915 6.33073 9.85289 11.4459 6.20558 9.83622 7.38951 4.24652 5.14522 numMergedOcc 0
