0 mol 24 unq 0 iso 0 dist 6.80849 13.9888 8.86116 10.1696 8.38394 6.44287 14.1707 8.60554 8.52463 12.3994 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 6.80849 10.1696 8.38394 13.9888 8.86116 6.44287 14.1707 8.60554 12.3994 8.52463 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.80849 13.9888 8.86116 10.1696 8.38394 6.44287 6.3045 8.44664 10.971 5.30734 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 6.80849 10.1696 8.38394 13.9888 8.86116 6.44287 6.3045 8.44664 5.30734 10.971 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 6.80849 13.9888 8.86116 10.1696 8.38394 6.44287 9.47767 9.44691 13.4893 12.505 numMergedOcc 0
5 mol 24 unq 2 iso 1 dist 6.80849 10.1696 8.38394 13.9888 8.86116 6.44287 9.47767 9.44691 12.505 13.4893 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 6.00307 7.95074 7.57578 10.3928 7.17969 4.33106 6.03478 6.16347 9.34396 10.8498 numMergedOcc 0
7 mol 25 unq 0 iso 1 dist 6.00307 10.3928 7.17969 7.95074 7.57578 4.33106 6.03478 6.16347 10.8498 9.34396 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 6.00307 7.95074 7.57578 10.3928 7.17969 4.33106 9.60684 7.92503 6.11127 5.30154 numMergedOcc 0
9 mol 25 unq 1 iso 1 dist 6.00307 10.3928 7.17969 7.95074 7.57578 4.33106 9.60684 7.92503 5.30154 6.11127 numMergedOcc 0
10 mol 43 unq 0 iso 0 dist 8.47617 15.1595 8.80331 8.14351 6.20293 8.13395 12.8271 8.95682 6.18002 8.38399 numMergedOcc 0
11 mol 43 unq 0 iso 1 dist 8.47617 8.14351 6.20293 15.1595 8.80331 8.13395 12.8271 8.95682 8.38399 6.18002 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 6.13476 13.1047 9.5589 10.0565 6.83299 5.08001 9.53962 7.21717 15.293 13.86 numMergedOcc 0
13 mol 54 unq 0 iso 1 dist 6.13476 10.0565 6.83299 13.1047 9.5589 5.08001 9.53962 7.21717 13.86 15.293 numMergedOcc 0
14 mol 54 unq 1 iso 0 dist 6.13476 13.1047 9.5589 5.77448 8.10861 16.3192 9.53962 7.21717 15.293 5.99981 numMergedOcc 0
15 mol 54 unq 1 iso 1 dist 6.13476 5.77448 8.10861 13.1047 9.5589 16.3192 9.53962 7.21717 5.99981 15.293 numMergedOcc 0
16 mol 54 unq 1 iso 0 dist 6.13476 10.0565 6.83299 5.77448 8.10861 14.2075 9.53962 7.21717 13.86 5.99981 numMergedOcc 0
17 mol 54 unq 1 iso 1 dist 6.13476 5.77448 8.10861 10.0565 6.83299 14.2075 9.53962 7.21717 5.99981 13.86 numMergedOcc 0
18 mol 95 unq 0 iso 0 dist 8.13273 6.56354 9.03572 6.68919 8.83255 6.59319 15.7943 9.49454 13.3662 12.0666 numMergedOcc 0
19 mol 95 unq 0 iso 1 dist 8.13273 6.68919 8.83255 6.56354 9.03572 6.59319 15.7943 9.49454 12.0666 13.3662 numMergedOcc 0
20 mol 95 unq 1 iso 0 dist 8.13273 6.56354 9.03572 14.1434 8.03644 16.6055 15.7943 9.49454 13.3662 11.4333 numMergedOcc 0
21 mol 95 unq 1 iso 1 dist 8.13273 14.1434 8.03644 6.56354 9.03572 16.6055 15.7943 9.49454 11.4333 13.3662 numMergedOcc 0
22 mol 95 unq 1 iso 0 dist 8.13273 6.68919 8.83255 14.1434 8.03644 13.8105 15.7943 9.49454 12.0666 11.4333 numMergedOcc 0
23 mol 95 unq 1 iso 1 dist 8.13273 14.1434 8.03644 6.68919 8.83255 13.8105 15.7943 9.49454 11.4333 12.0666 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 4.31067 9.04817 5.08437 4.70157 6.48948 9.51923 9.0917 6.65501 4.4057 7.42446 numMergedOcc 0
25 mol 98 unq 0 iso 1 dist 4.31067 4.70157 6.48948 9.04817 5.08437 9.51923 9.0917 6.65501 7.42446 4.4057 numMergedOcc 0
26 mol 98 unq 1 iso 0 dist 4.31067 9.04817 5.08437 6.21302 6.10456 8.40073 9.0917 6.65501 4.4057 9.67482 numMergedOcc 0
27 mol 98 unq 1 iso 1 dist 4.31067 6.21302 6.10456 9.04817 5.08437 8.40073 9.0917 6.65501 9.67482 4.4057 numMergedOcc 0
28 mol 98 unq 1 iso 0 dist 4.31067 4.70157 6.48948 6.21302 6.10456 9.42358 9.0917 6.65501 7.42446 9.67482 numMergedOcc 0
29 mol 98 unq 1 iso 1 dist 4.31067 6.21302 6.10456 4.70157 6.48948 9.42358 9.0917 6.65501 9.67482 7.42446 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 6.29975 4.90674 6.5107 5.78974 9.52634 9.56949 5.42142 6.66772 7.12976 4.34568 numMergedOcc 0
31 mol 133 unq 0 iso 1 dist 6.29975 5.78974 9.52634 4.90674 6.5107 9.56949 5.42142 6.66772 4.34568 7.12976 numMergedOcc 0
32 mol 133 unq 1 iso 0 dist 8.29673 5.78974 7.24514 9.35671 8.22656 6.65743 5.42142 7.71248 4.34568 10.6025 numMergedOcc 0
33 mol 133 unq 1 iso 1 dist 8.29673 9.35671 8.22656 5.78974 7.24514 6.65743 5.42142 7.71248 10.6025 4.34568 numMergedOcc 0
34 mol 181 unq 0 iso 0 dist 7.15963 14.1493 9.1374 6.73556 5.98885 8.88798 10.5886 8.90963 8.91338 9.81073 numMergedOcc 0
35 mol 181 unq 0 iso 1 dist 7.15963 6.73556 5.98885 14.1493 9.1374 8.88798 10.5886 8.90963 9.81073 8.91338 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 7.15963 14.1493 9.1374 5.49666 9.15386 12.1628 10.5886 8.90963 8.91338 9.34211 numMergedOcc 0
37 mol 181 unq 1 iso 1 dist 7.15963 5.49666 9.15386 14.1493 9.1374 12.1628 10.5886 8.90963 9.34211 8.91338 numMergedOcc 0
38 mol 181 unq 1 iso 0 dist 7.15963 6.73556 5.98885 5.49666 9.15386 5.16002 10.5886 8.90963 9.81073 9.34211 numMergedOcc 0
39 mol 181 unq 1 iso 1 dist 7.15963 5.49666 9.15386 6.73556 5.98885 5.16002 10.5886 8.90963 9.34211 9.81073 numMergedOcc 0
40 mol 204 unq 0 iso 0 dist 6.20646 5.21426 7.10633 8.35604 8.51516 10.8344 11.1093 9.68728 7.67571 10.8573 numMergedOcc 0
41 mol 204 unq 0 iso 1 dist 6.20646 8.35604 8.51516 5.21426 7.10633 10.8344 11.1093 9.68728 10.8573 7.67571 numMergedOcc 0
42 mol 204 unq 1 iso 0 dist 6.73266 5.57112 7.10633 12.1292 8.51516 10.8344 5.39256 9.68728 7.67571 10.8573 numMergedOcc 0
43 mol 204 unq 1 iso 1 dist 6.73266 12.1292 8.51516 5.57112 7.10633 10.8344 5.39256 9.68728 10.8573 7.67571 numMergedOcc 0
44 mol 206 unq 0 iso 0 dist 7.51923 5.39127 8.02137 5.1071 9.774 10.4 8.91883 7.75885 12.7604 6.45859 numMergedOcc 0
45 mol 206 unq 0 iso 1 dist 7.51923 5.1071 9.774 5.39127 8.02137 10.4 8.91883 7.75885 6.45859 12.7604 numMergedOcc 0
46 mol 234 unq 0 iso 0 dist 6.15754 11.8245 8.34494 12.4455 6.56247 6.29886 14.7836 9.81425 4.3717 4.46561 numMergedOcc 0
47 mol 234 unq 0 iso 1 dist 6.15754 12.4455 6.56247 11.8245 8.34494 6.29886 14.7836 9.81425 4.46561 4.3717 numMergedOcc 0
48 mol 234 unq 1 iso 0 dist 6.15754 11.8245 8.34494 14.0876 9.36357 12.1694 14.7836 9.81425 4.3717 10.641 numMergedOcc 0
49 mol 234 unq 1 iso 1 dist 6.15754 14.0876 9.36357 11.8245 8.34494 12.1694 14.7836 9.81425 10.641 4.3717 numMergedOcc 0
50 mol 234 unq 1 iso 0 dist 6.15754 12.4455 6.56247 14.0876 9.36357 7.82322 14.7836 9.81425 4.46561 10.641 numMergedOcc 0
51 mol 234 unq 1 iso 1 dist 6.15754 14.0876 9.36357 12.4455 6.56247 7.82322 14.7836 9.81425 10.641 4.46561 numMergedOcc 0
52 mol 234 unq 2 iso 0 dist 6.6281 6.65785 8.34494 10.0624 6.56247 6.29886 10.5885 9.81425 4.3717 4.46561 numMergedOcc 0
53 mol 234 unq 2 iso 1 dist 6.6281 10.0624 6.56247 6.65785 8.34494 6.29886 10.5885 9.81425 4.46561 4.3717 numMergedOcc 0
54 mol 234 unq 3 iso 0 dist 6.6281 6.65785 8.34494 13.9869 9.36357 12.1694 10.5885 9.81425 4.3717 10.641 numMergedOcc 0
55 mol 234 unq 3 iso 1 dist 6.6281 13.9869 9.36357 6.65785 8.34494 12.1694 10.5885 9.81425 10.641 4.3717 numMergedOcc 0
56 mol 234 unq 3 iso 0 dist 6.6281 10.0624 6.56247 13.9869 9.36357 7.82322 10.5885 9.81425 4.46561 10.641 numMergedOcc 0
57 mol 234 unq 3 iso 1 dist 6.6281 13.9869 9.36357 10.0624 6.56247 7.82322 10.5885 9.81425 10.641 4.46561 numMergedOcc 0
