0 mol 25 unq 0 iso 0 dist 8.26412 8.64255 7.6114 13.0003 6.10919 7.31767 11.2263 5.86705 6.03987 4.51512 numMergedOcc 0
1 mol 25 unq 0 iso 1 dist 8.26412 8.64255 7.6114 11.2263 5.86705 6.03987 13.0003 6.10919 7.31767 4.51512 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 6.12374 6.12182 7.26639 8.19077 4.40004 7.50293 13.1327 8.68364 9.91611 5.79773 numMergedOcc 0
3 mol 38 unq 0 iso 1 dist 6.12374 6.12182 7.26639 13.1327 8.68364 9.91611 8.19077 4.40004 7.50293 5.79773 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 9.77082 15.821 9.3948 9.17862 3.94537 7.27724 15.8862 11.3215 8.03644 8.41707 numMergedOcc 0
5 mol 95 unq 0 iso 1 dist 9.77082 15.821 9.3948 15.8862 11.3215 8.03644 9.17862 3.94537 7.27724 8.41707 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 8.0675 9.7565 9.3948 8.27456 3.94537 7.27724 15.5421 11.3215 8.03644 8.41707 numMergedOcc 0
7 mol 95 unq 1 iso 1 dist 8.0675 9.7565 9.3948 15.5421 11.3215 8.03644 8.27456 3.94537 7.27724 8.41707 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 8.29463 5.06206 5.35782 11.2501 6.30222 6.45675 10.4409 5.47563 7.47343 5.33144 numMergedOcc 0
9 mol 100 unq 0 iso 1 dist 8.29463 5.06206 5.35782 10.4409 5.47563 7.47343 11.2501 6.30222 6.45675 5.33144 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 8.29463 5.06206 5.35782 11.2501 6.30222 6.45675 11.3142 5.03232 8.86688 9.71151 numMergedOcc 0
11 mol 100 unq 1 iso 1 dist 8.29463 5.06206 5.35782 11.3142 5.03232 8.86688 11.2501 6.30222 6.45675 9.71151 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 8.29463 5.06206 5.35782 10.4409 5.47563 7.47343 11.3142 5.03232 8.86688 10.1407 numMergedOcc 0
13 mol 100 unq 1 iso 1 dist 8.29463 5.06206 5.35782 11.3142 5.03232 8.86688 10.4409 5.47563 7.47343 10.1407 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 6.17349 6.86762 7.69765 12.9567 10.3209 7.30858 5.11612 4.48636 5.83991 10.8507 numMergedOcc 0
15 mol 115 unq 0 iso 1 dist 6.17349 6.86762 7.69765 5.11612 4.48636 5.83991 12.9567 10.3209 7.30858 10.8507 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 6.17349 6.86762 7.69765 12.9567 10.3209 7.30858 11.7895 11.835 7.88312 11.5723 numMergedOcc 0
17 mol 115 unq 1 iso 1 dist 6.17349 6.86762 7.69765 11.7895 11.835 7.88312 12.9567 10.3209 7.30858 11.5723 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 6.17349 6.86762 7.69765 5.11612 4.48636 5.83991 11.7895 11.835 7.88312 8.02349 numMergedOcc 0
19 mol 115 unq 1 iso 1 dist 6.17349 6.86762 7.69765 11.7895 11.835 7.88312 5.11612 4.48636 5.83991 8.02349 numMergedOcc 0
20 mol 115 unq 2 iso 0 dist 9.21978 10.3475 6.39384 5.11612 6.63111 9.33865 11.7895 6.07067 6.11741 8.02349 numMergedOcc 0
21 mol 115 unq 2 iso 1 dist 9.21978 10.3475 6.39384 11.7895 6.07067 6.11741 5.11612 6.63111 9.33865 8.02349 numMergedOcc 0
22 mol 115 unq 3 iso 0 dist 9.21978 6.86762 9.42082 12.9567 15.3161 7.30858 5.11612 6.63111 5.83991 10.8507 numMergedOcc 0
23 mol 115 unq 3 iso 1 dist 9.21978 6.86762 9.42082 5.11612 6.63111 5.83991 12.9567 15.3161 7.30858 10.8507 numMergedOcc 0
24 mol 115 unq 4 iso 0 dist 9.21978 6.86762 9.42082 12.9567 15.3161 7.30858 11.7895 6.07067 7.88312 11.5723 numMergedOcc 0
25 mol 115 unq 4 iso 1 dist 9.21978 6.86762 9.42082 11.7895 6.07067 7.88312 12.9567 15.3161 7.30858 11.5723 numMergedOcc 0
26 mol 115 unq 4 iso 0 dist 9.21978 6.86762 9.42082 5.11612 6.63111 5.83991 11.7895 6.07067 7.88312 8.02349 numMergedOcc 0
27 mol 115 unq 4 iso 1 dist 9.21978 6.86762 9.42082 11.7895 6.07067 7.88312 5.11612 6.63111 5.83991 8.02349 numMergedOcc 0
28 mol 115 unq 5 iso 0 dist 9.26505 10.0419 6.24825 5.22628 6.95773 9.33865 11.2519 6.01673 5.83991 7.69052 numMergedOcc 0
29 mol 115 unq 5 iso 1 dist 9.26505 10.0419 6.24825 11.2519 6.01673 5.83991 5.22628 6.95773 9.33865 7.69052 numMergedOcc 0
30 mol 117 unq 0 iso 0 dist 5.20001 5.17524 6.10127 9.60425 6.57678 9.84395 12.6233 10.5783 7.90328 13.1058 numMergedOcc 0
31 mol 117 unq 0 iso 1 dist 5.20001 5.17524 6.10127 12.6233 10.5783 7.90328 9.60425 6.57678 9.84395 13.1058 numMergedOcc 0
32 mol 133 unq 0 iso 0 dist 7.33743 6.80087 8.77023 12.8006 13.0405 6.29155 9.73536 13.7612 6.80239 7.81217 numMergedOcc 0
33 mol 133 unq 0 iso 1 dist 7.33743 6.80087 8.77023 9.73536 13.7612 6.80239 12.8006 13.0405 6.29155 7.81217 numMergedOcc 0
34 mol 133 unq 1 iso 0 dist 7.33743 6.80087 8.77023 12.8006 13.0405 6.29155 8.94909 15.0115 8.00618 11.965 numMergedOcc 0
35 mol 133 unq 1 iso 1 dist 7.33743 6.80087 8.77023 8.94909 15.0115 8.00618 12.8006 13.0405 6.29155 11.965 numMergedOcc 0
36 mol 133 unq 1 iso 0 dist 7.33743 6.80087 8.77023 9.73536 13.7612 6.80239 8.94909 15.0115 8.00618 7.79672 numMergedOcc 0
37 mol 133 unq 1 iso 1 dist 7.33743 6.80087 8.77023 8.94909 15.0115 8.00618 9.73536 13.7612 6.80239 7.79672 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 9.8564 12.0294 9.33094 15.0247 7.41373 8.94367 16.0887 10.8635 6.37586 5.49782 numMergedOcc 0
39 mol 134 unq 0 iso 1 dist 9.8564 12.0294 9.33094 16.0887 10.8635 6.37586 15.0247 7.41373 8.94367 5.49782 numMergedOcc 0
40 mol 134 unq 1 iso 0 dist 9.8564 12.0294 9.33094 15.0247 7.41373 8.94367 14.18 12.3479 6.49416 8.80819 numMergedOcc 0
41 mol 134 unq 1 iso 1 dist 9.8564 12.0294 9.33094 14.18 12.3479 6.49416 15.0247 7.41373 8.94367 8.80819 numMergedOcc 0
42 mol 134 unq 1 iso 0 dist 9.8564 12.0294 9.33094 16.0887 10.8635 6.37586 14.18 12.3479 6.49416 5.00817 numMergedOcc 0
43 mol 134 unq 1 iso 1 dist 9.8564 12.0294 9.33094 14.18 12.3479 6.49416 16.0887 10.8635 6.37586 5.00817 numMergedOcc 0
44 mol 134 unq 2 iso 0 dist 9.8564 14.9183 8.69531 15.0247 7.41373 9.86662 16.0887 10.8635 9.71307 5.49782 numMergedOcc 0
45 mol 134 unq 2 iso 1 dist 9.8564 14.9183 8.69531 16.0887 10.8635 9.71307 15.0247 7.41373 9.86662 5.49782 numMergedOcc 0
46 mol 181 unq 0 iso 0 dist 7.83476 5.49497 6.64173 12.074 6.8757 7.81386 9.72791 10.6474 7.63312 8.85576 numMergedOcc 0
47 mol 181 unq 0 iso 1 dist 7.83476 5.49497 6.64173 9.72791 10.6474 7.63312 12.074 6.8757 7.81386 8.85576 numMergedOcc 0
48 mol 276 unq 0 iso 0 dist 8.53037 6.23528 8.6759 14.4138 9.39944 9.8993 11.4412 8.26321 6.87396 6.88557 numMergedOcc 0
49 mol 276 unq 0 iso 1 dist 8.53037 6.23528 8.6759 11.4412 8.26321 6.87396 14.4138 9.39944 9.8993 6.88557 numMergedOcc 0
