0 mol 45 unq 0 iso 0 dist 6.96797 5.84852 7.2846 6.5822 7.58835 8.81358 9.73896 5.24762 6.43774 11.2563 numMergedOcc 0
1 mol 95 unq 0 iso 0 dist 8.06457 7.84998 9.01083 4.165 7.88289 8.18643 10.6428 5.53837 7.2658 11.152 numMergedOcc 0
2 mol 95 unq 1 iso 0 dist 6.5136 11.085 8.03644 7.08612 7.27724 8.41707 19.738 16.6055 9.03572 16.9836 numMergedOcc 0
3 mol 95 unq 2 iso 0 dist 6.5136 11.085 8.03644 7.08612 7.27724 8.41707 18.2727 13.8105 8.83255 16.9811 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 7.02792 11.4302 9.35224 6.20162 6.56369 5.88134 10.3136 7.80879 9.60661 6.65086 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 7.02792 11.4302 9.35224 6.20162 6.56369 5.88134 14.4819 8.87654 7.17106 10.5134 numMergedOcc 0
6 mol 100 unq 2 iso 0 dist 7.02792 6.20162 6.56369 11.4302 9.35224 5.88134 9.16549 12.6515 7.47343 12.0662 numMergedOcc 0
7 mol 100 unq 3 iso 0 dist 7.02792 6.20162 6.56369 11.4302 9.35224 5.88134 10.3136 7.80879 6.65086 9.60661 numMergedOcc 0
8 mol 100 unq 4 iso 0 dist 7.02792 6.20162 6.56369 11.4302 9.35224 5.88134 12.1758 6.39938 9.30209 10.5853 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 8.98848 14.6144 7.90328 10.0436 7.83136 7.22206 21.8083 13.1058 9.84395 16.5575 numMergedOcc 0
10 mol 117 unq 1 iso 0 dist 8.98848 14.6144 7.90328 6.81312 7.0603 9.3584 21.8083 13.1058 9.84395 17.163 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 7.85025 13.8058 8.00618 4.26332 6.29155 11.965 13.0581 8.18495 7.11802 13.268 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 7.85025 13.8058 8.00618 11.5948 6.80239 7.79672 13.0581 8.18495 7.11802 12.6651 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 8.5778 10.2414 6.54501 13.5276 6.49416 5.00526 8.31743 5.79898 9.89303 9.93925 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 8.5778 13.5276 6.49416 10.2414 6.54501 5.00526 14.8658 8.80819 8.94367 11.9139 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 8.5778 13.5276 6.49416 10.2414 6.54501 5.00526 13.131 5.00817 6.37586 9.5126 numMergedOcc 0
16 mol 142 unq 0 iso 0 dist 6.91573 12.444 9.2313 7.18287 5.31024 5.32922 12.0967 5.50998 7.73169 7.26382 numMergedOcc 0
17 mol 142 unq 1 iso 0 dist 6.91573 12.444 9.2313 7.18287 5.31024 5.32922 17.0821 11.1395 8.96657 11.0824 numMergedOcc 0
18 mol 142 unq 2 iso 0 dist 6.91573 7.18287 5.31024 12.444 9.2313 5.32922 12.0967 5.50998 7.26382 7.73169 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 8.58465 5.22923 8.87694 6.37463 7.54065 5.74635 13.2127 9.50685 9.09754 10.7914 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 8.58465 5.22923 8.87694 10.9291 9.70748 14.9058 13.2127 9.50685 9.09754 18.6929 numMergedOcc 0
21 mol 229 unq 0 iso 0 dist 9.68636 5.6419 7.03423 10.705 8.22528 5.57838 7.81415 6.84129 9.06952 13.2905 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 8.58958 14.7629 6.56247 16.0172 8.34494 6.29886 7.17987 5.88703 9.45496 12.9605 numMergedOcc 0
23 mol 234 unq 1 iso 0 dist 8.58958 14.7629 6.56247 13.5847 9.36357 7.82322 7.17987 5.88703 9.45496 6.7625 numMergedOcc 0
24 mol 234 unq 2 iso 0 dist 8.58958 13.5847 9.36357 16.0172 8.34494 12.1694 7.17987 5.88703 6.7625 12.9605 numMergedOcc 0
25 mol 234 unq 3 iso 0 dist 8.58958 13.5847 9.36357 14.7629 6.56247 7.82322 7.17987 5.88703 6.7625 9.45496 numMergedOcc 0
26 mol 234 unq 4 iso 0 dist 9.70004 14.3229 6.56247 10.9359 8.34494 6.29886 13.9487 5.88703 9.45496 12.9605 numMergedOcc 0
27 mol 234 unq 5 iso 0 dist 9.70004 14.3229 6.56247 17.5883 9.36357 7.82322 13.9487 5.88703 9.45496 6.7625 numMergedOcc 0
28 mol 234 unq 6 iso 0 dist 9.70004 17.5883 9.36357 10.9359 8.34494 12.1694 13.9487 5.88703 6.7625 12.9605 numMergedOcc 0
29 mol 234 unq 7 iso 0 dist 9.70004 17.5883 9.36357 14.3229 6.56247 7.82322 13.9487 5.88703 6.7625 9.45496 numMergedOcc 0
30 mol 234 unq 8 iso 0 dist 7.17987 14.7629 9.45496 13.5847 6.7625 7.82322 8.58958 5.88703 6.56247 9.36357 numMergedOcc 0
31 mol 234 unq 9 iso 0 dist 7.17987 13.5847 6.7625 14.7629 9.45496 7.82322 8.58958 5.88703 9.36357 6.56247 numMergedOcc 0
32 mol 234 unq 10 iso 0 dist 9.5181 9.15708 9.36357 4.94699 6.7625 5.88703 16.7157 12.1694 8.34494 12.9605 numMergedOcc 0
33 mol 234 unq 11 iso 0 dist 9.5181 9.15708 9.36357 4.94699 6.7625 5.88703 12.0771 7.82322 6.56247 9.45496 numMergedOcc 0
34 mol 234 unq 12 iso 0 dist 9.5181 4.94699 6.7625 9.15708 9.36357 5.88703 12.0771 7.82322 9.45496 6.56247 numMergedOcc 0
35 mol 236 unq 0 iso 0 dist 6.0087 11.2678 8.03456 12.338 6.84306 5.79505 12.1533 7.28249 9.81562 7.68742 numMergedOcc 0
36 mol 236 unq 1 iso 0 dist 6.0087 11.2678 8.03456 12.431 9.99038 9.90963 12.1533 7.28249 9.81562 6.27581 numMergedOcc 0
37 mol 236 unq 2 iso 0 dist 6.0087 11.2678 8.03456 8.71933 9.78037 6.96005 12.1533 7.28249 9.81562 13.499 numMergedOcc 0
38 mol 236 unq 3 iso 0 dist 6.0087 11.2678 8.03456 5.81354 8.35971 14.2337 12.1533 7.28249 9.81562 11.2141 numMergedOcc 0
39 mol 236 unq 4 iso 0 dist 6.0087 12.338 6.84306 11.2678 8.03456 5.79505 12.1533 7.28249 7.68742 9.81562 numMergedOcc 0
40 mol 236 unq 5 iso 0 dist 6.0087 12.338 6.84306 12.431 9.99038 11.3368 12.1533 7.28249 7.68742 6.27581 numMergedOcc 0
41 mol 236 unq 6 iso 0 dist 6.0087 12.338 6.84306 8.71933 9.78037 11.8739 12.1533 7.28249 7.68742 13.499 numMergedOcc 0
42 mol 236 unq 7 iso 0 dist 6.0087 12.338 6.84306 5.81354 8.35971 14.7998 12.1533 7.28249 7.68742 11.2141 numMergedOcc 0
43 mol 236 unq 8 iso 0 dist 6.0087 12.431 9.99038 11.2678 8.03456 9.90963 12.1533 7.28249 6.27581 9.81562 numMergedOcc 0
44 mol 236 unq 9 iso 0 dist 6.0087 12.431 9.99038 12.338 6.84306 11.3368 12.1533 7.28249 6.27581 7.68742 numMergedOcc 0
45 mol 236 unq 10 iso 0 dist 6.0087 12.431 9.99038 8.71933 9.78037 11.1557 12.1533 7.28249 6.27581 13.499 numMergedOcc 0
46 mol 236 unq 11 iso 0 dist 6.0087 12.431 9.99038 5.81354 8.35971 10.7497 12.1533 7.28249 6.27581 11.2141 numMergedOcc 0
47 mol 236 unq 12 iso 0 dist 6.0087 5.81354 8.35971 11.2678 8.03456 14.2337 6.67907 7.43758 8.04248 15.1853 numMergedOcc 0
48 mol 236 unq 13 iso 0 dist 6.0087 5.81354 8.35971 12.338 6.84306 14.7998 6.67907 7.43758 8.04248 13.5269 numMergedOcc 0
49 mol 236 unq 14 iso 0 dist 6.0087 5.81354 8.35971 12.431 9.99038 10.7497 6.67907 7.43758 8.04248 15.7308 numMergedOcc 0
50 mol 236 unq 15 iso 0 dist 6.0087 5.81354 8.35971 8.71933 9.78037 12.0369 6.67907 7.43758 8.04248 14.9122 numMergedOcc 0
