0 mol 59 unq 0 iso 0 dist 6.47132 5.87975 6.46655 9.86595 7.17396 8.94845 10.2137 9.21998 6.32263 6.05545 numMergedOcc 0
1 mol 59 unq 0 iso 1 dist 6.47132 5.87975 6.46655 10.2137 9.21998 6.32263 9.86595 7.17396 8.94845 6.05545 numMergedOcc 0
2 mol 88 unq 0 iso 0 dist 8.71603 14.8338 7.76275 9.86323 9.36773 13.1838 5.3018 8.31336 12.6939 5.57085 numMergedOcc 0
3 mol 88 unq 0 iso 1 dist 8.71603 14.8338 7.76275 5.3018 8.31336 12.6939 9.86323 9.36773 13.1838 5.57085 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 6.5136 7.53046 9.40559 7.08612 7.27724 13.018 11.085 8.03644 11.8978 8.41707 numMergedOcc 0
5 mol 95 unq 0 iso 1 dist 6.5136 7.53046 9.40559 11.085 8.03644 11.8978 7.08612 7.27724 13.018 8.41707 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 8.5778 15.9627 7.97208 10.2414 6.54501 12.5576 13.5276 6.49416 9.52819 5.00526 numMergedOcc 0
7 mol 134 unq 0 iso 1 dist 8.5778 15.9627 7.97208 13.5276 6.49416 9.52819 10.2414 6.54501 12.5576 5.00526 numMergedOcc 0
8 mol 204 unq 0 iso 0 dist 9.65951 6.79211 7.7292 11.5989 7.10633 13.4646 9.99471 8.51516 9.54287 10.8344 numMergedOcc 0
9 mol 204 unq 0 iso 1 dist 9.65951 6.79211 7.7292 9.99471 8.51516 9.54287 11.5989 7.10633 13.4646 10.8344 numMergedOcc 0
10 mol 204 unq 1 iso 0 dist 9.14829 12.0168 7.7292 6.73339 7.10633 13.4646 13.2127 8.51516 9.54287 10.8344 numMergedOcc 0
11 mol 204 unq 1 iso 1 dist 9.14829 12.0168 7.7292 13.2127 8.51516 9.54287 6.73339 7.10633 13.4646 10.8344 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 9.33638 4.51173 9.40003 15.9383 9.65138 16.5528 7.31241 7.14453 9.11345 9.10746 numMergedOcc 0
13 mol 214 unq 0 iso 1 dist 9.33638 4.51173 9.40003 7.31241 7.14453 9.11345 15.9383 9.65138 16.5528 9.10746 numMergedOcc 0
14 mol 214 unq 1 iso 0 dist 9.33638 4.51173 9.40003 15.9383 9.65138 16.5528 17.0758 8.85478 16.922 4.40923 numMergedOcc 0
15 mol 214 unq 1 iso 1 dist 9.33638 4.51173 9.40003 17.0758 8.85478 16.922 15.9383 9.65138 16.5528 4.40923 numMergedOcc 0
16 mol 214 unq 1 iso 0 dist 9.33638 4.51173 9.40003 7.31241 7.14453 9.11345 17.0758 8.85478 16.922 11.3796 numMergedOcc 0
17 mol 214 unq 1 iso 1 dist 9.33638 4.51173 9.40003 17.0758 8.85478 16.922 7.31241 7.14453 9.11345 11.3796 numMergedOcc 0
18 mol 214 unq 2 iso 0 dist 9.33638 16.1753 8.68385 15.9383 9.65138 10.2443 7.31241 7.14453 12.5421 9.10746 numMergedOcc 0
19 mol 214 unq 2 iso 1 dist 9.33638 16.1753 8.68385 7.31241 7.14453 12.5421 15.9383 9.65138 10.2443 9.10746 numMergedOcc 0
20 mol 214 unq 3 iso 0 dist 9.33638 16.1753 8.68385 15.9383 9.65138 10.2443 17.0758 8.85478 9.18071 4.40923 numMergedOcc 0
21 mol 214 unq 3 iso 1 dist 9.33638 16.1753 8.68385 17.0758 8.85478 9.18071 15.9383 9.65138 10.2443 4.40923 numMergedOcc 0
22 mol 214 unq 3 iso 0 dist 9.33638 16.1753 8.68385 7.31241 7.14453 12.5421 17.0758 8.85478 9.18071 11.3796 numMergedOcc 0
23 mol 214 unq 3 iso 1 dist 9.33638 16.1753 8.68385 17.0758 8.85478 9.18071 7.31241 7.14453 12.5421 11.3796 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 9.05754 13.2001 8.9077 15.9524 9.23153 10.6943 10.0641 8.24498 15.396 10.5449 numMergedOcc 0
25 mol 220 unq 0 iso 1 dist 9.05754 13.2001 8.9077 10.0641 8.24498 15.396 15.9524 9.23153 10.6943 10.5449 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 8.81925 11.7913 8.69148 9.75789 8.01589 6.52189 12.7799 7.7699 5.33282 10.4579 numMergedOcc 0
27 mol 222 unq 0 iso 1 dist 8.81925 11.7913 8.69148 12.7799 7.7699 5.33282 9.75789 8.01589 6.52189 10.4579 numMergedOcc 0
28 mol 222 unq 1 iso 0 dist 8.81925 11.7913 8.69148 9.75789 8.01589 6.52189 12.5625 7.21333 9.97859 13.3522 numMergedOcc 0
29 mol 222 unq 1 iso 1 dist 8.81925 11.7913 8.69148 12.5625 7.21333 9.97859 9.75789 8.01589 6.52189 13.3522 numMergedOcc 0
30 mol 222 unq 1 iso 0 dist 8.81925 11.7913 8.69148 12.7799 7.7699 5.33282 12.5625 7.21333 9.97859 5.24516 numMergedOcc 0
31 mol 222 unq 1 iso 1 dist 8.81925 11.7913 8.69148 12.5625 7.21333 9.97859 12.7799 7.7699 5.33282 5.24516 numMergedOcc 0
32 mol 236 unq 0 iso 0 dist 6.0087 15.6486 9.97357 11.2678 8.03456 8.3919 12.338 6.84306 4.88785 5.79505 numMergedOcc 0
33 mol 236 unq 0 iso 1 dist 6.0087 15.6486 9.97357 12.338 6.84306 4.88785 11.2678 8.03456 8.3919 5.79505 numMergedOcc 0
34 mol 236 unq 1 iso 0 dist 6.0087 15.6486 9.97357 11.2678 8.03456 8.3919 12.431 9.99038 10.2557 9.90963 numMergedOcc 0
35 mol 236 unq 1 iso 1 dist 6.0087 15.6486 9.97357 12.431 9.99038 10.2557 11.2678 8.03456 8.3919 9.90963 numMergedOcc 0
36 mol 236 unq 2 iso 0 dist 6.0087 15.6486 9.97357 11.2678 8.03456 8.3919 8.71933 9.78037 14.6755 6.96005 numMergedOcc 0
37 mol 236 unq 2 iso 1 dist 6.0087 15.6486 9.97357 8.71933 9.78037 14.6755 11.2678 8.03456 8.3919 6.96005 numMergedOcc 0
38 mol 236 unq 3 iso 0 dist 6.0087 15.6486 9.97357 11.2678 8.03456 8.3919 5.81354 8.35971 16.5918 14.2337 numMergedOcc 0
39 mol 236 unq 3 iso 1 dist 6.0087 15.6486 9.97357 5.81354 8.35971 16.5918 11.2678 8.03456 8.3919 14.2337 numMergedOcc 0
40 mol 236 unq 1 iso 0 dist 6.0087 15.6486 9.97357 12.338 6.84306 4.88785 12.431 9.99038 10.2557 11.3368 numMergedOcc 0
41 mol 236 unq 1 iso 1 dist 6.0087 15.6486 9.97357 12.431 9.99038 10.2557 12.338 6.84306 4.88785 11.3368 numMergedOcc 0
42 mol 236 unq 2 iso 0 dist 6.0087 15.6486 9.97357 12.338 6.84306 4.88785 8.71933 9.78037 14.6755 11.8739 numMergedOcc 0
43 mol 236 unq 2 iso 1 dist 6.0087 15.6486 9.97357 8.71933 9.78037 14.6755 12.338 6.84306 4.88785 11.8739 numMergedOcc 0
44 mol 236 unq 3 iso 0 dist 6.0087 15.6486 9.97357 12.338 6.84306 4.88785 5.81354 8.35971 16.5918 14.7998 numMergedOcc 0
45 mol 236 unq 3 iso 1 dist 6.0087 15.6486 9.97357 5.81354 8.35971 16.5918 12.338 6.84306 4.88785 14.7998 numMergedOcc 0
46 mol 236 unq 2 iso 0 dist 6.0087 15.6486 9.97357 12.431 9.99038 10.2557 8.71933 9.78037 14.6755 11.1557 numMergedOcc 0
47 mol 236 unq 2 iso 1 dist 6.0087 15.6486 9.97357 8.71933 9.78037 14.6755 12.431 9.99038 10.2557 11.1557 numMergedOcc 0
48 mol 236 unq 3 iso 0 dist 6.0087 15.6486 9.97357 12.431 9.99038 10.2557 5.81354 8.35971 16.5918 10.7497 numMergedOcc 0
49 mol 236 unq 3 iso 1 dist 6.0087 15.6486 9.97357 5.81354 8.35971 16.5918 12.431 9.99038 10.2557 10.7497 numMergedOcc 0
50 mol 236 unq 3 iso 0 dist 6.0087 15.6486 9.97357 8.71933 9.78037 14.6755 5.81354 8.35971 16.5918 12.0369 numMergedOcc 0
51 mol 236 unq 3 iso 1 dist 6.0087 15.6486 9.97357 5.81354 8.35971 16.5918 8.71933 9.78037 14.6755 12.0369 numMergedOcc 0
52 mol 276 unq 0 iso 0 dist 6.97104 8.68481 5.30976 12.2532 9.8993 7.38126 5.58984 6.87396 6.39319 6.88557 numMergedOcc 0
53 mol 276 unq 0 iso 1 dist 6.97104 8.68481 5.30976 5.58984 6.87396 6.39319 12.2532 9.8993 7.38126 6.88557 numMergedOcc 0
54 mol 276 unq 1 iso 0 dist 8.63281 7.83895 5.30976 12.388 9.8993 7.38126 6.58819 6.87396 6.39319 6.88557 numMergedOcc 0
55 mol 276 unq 1 iso 1 dist 8.63281 7.83895 5.30976 6.58819 6.87396 6.39319 12.388 9.8993 7.38126 6.88557 numMergedOcc 0
