0 mol 14 unq 0 iso 0 dist 8.64855 15.5387 9.58196 14.0636 5.53425 9.7022 11.8313 4.53725 9.04767 5.67201 numMergedOcc 0
1 mol 14 unq 0 iso 1 dist 8.64855 15.5387 9.58196 11.8313 4.53725 9.04767 14.0636 5.53425 9.7022 5.67201 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 7.94714 11.2303 9.04767 13.4426 5.67201 9.7022 10.556 4.53725 9.58196 5.53425 numMergedOcc 0
3 mol 14 unq 1 iso 1 dist 7.94714 11.2303 9.04767 10.556 4.53725 9.58196 13.4426 5.67201 9.7022 5.53425 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 6.84521 5.84171 5.73819 8.90024 5.06502 6.20293 6.78532 5.89973 8.93915 6.45462 numMergedOcc 0
5 mol 43 unq 0 iso 1 dist 6.84521 5.84171 5.73819 6.78532 5.89973 8.93915 8.90024 5.06502 6.20293 6.45462 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 8.06275 10.4413 6.20293 12.0618 5.06502 5.73819 14.4184 6.45462 8.93915 5.89973 numMergedOcc 0
7 mol 43 unq 1 iso 1 dist 8.06275 10.4413 6.20293 14.4184 6.45462 8.93915 12.0618 5.06502 5.73819 5.89973 numMergedOcc 0
8 mol 43 unq 2 iso 0 dist 8.90024 5.84171 6.20293 6.84521 5.06502 5.73819 6.78532 6.45462 8.93915 5.89973 numMergedOcc 0
9 mol 43 unq 2 iso 1 dist 8.90024 5.84171 6.20293 6.78532 6.45462 8.93915 6.84521 5.06502 5.73819 5.89973 numMergedOcc 0
10 mol 43 unq 3 iso 0 dist 6.78532 5.84171 8.93915 6.84521 5.89973 5.73819 8.90024 6.45462 6.20293 5.06502 numMergedOcc 0
11 mol 43 unq 3 iso 1 dist 6.78532 5.84171 8.93915 8.90024 6.45462 6.20293 6.84521 5.89973 5.73819 5.06502 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 9.81637 11.9429 6.62496 14.9123 5.30792 6.86465 12.4928 4.81926 6.35756 5.35073 numMergedOcc 0
13 mol 58 unq 0 iso 1 dist 9.81637 11.9429 6.62496 12.4928 4.81926 6.35756 14.9123 5.30792 6.86465 5.35073 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 9.9795 13.0232 6.19965 13.2455 4.26409 7.95579 11.5591 6.9948 7.66905 10.7229 numMergedOcc 0
15 mol 85 unq 0 iso 1 dist 9.9795 13.0232 6.19965 11.5591 6.9948 7.66905 13.2455 4.26409 7.95579 10.7229 numMergedOcc 0
16 mol 95 unq 0 iso 0 dist 7.90775 4.16047 9.03572 9.96562 6.59319 8.83255 11.3191 16.6055 8.03644 13.8105 numMergedOcc 0
17 mol 95 unq 0 iso 1 dist 7.90775 4.16047 9.03572 11.3191 16.6055 8.03644 9.96562 6.59319 8.83255 13.8105 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 9.23803 6.32175 8.58044 11.1563 7 7.34473 8.05028 6.94915 9.97763 8.40993 numMergedOcc 0
19 mol 109 unq 0 iso 1 dist 9.23803 6.32175 8.58044 8.05028 6.94915 9.97763 11.1563 7 7.34473 8.40993 numMergedOcc 0
20 mol 109 unq 1 iso 0 dist 8.05028 6.32175 9.97763 11.1563 8.40993 7.34473 9.23803 6.94915 8.58044 7 numMergedOcc 0
21 mol 109 unq 1 iso 1 dist 8.05028 6.32175 9.97763 9.23803 6.94915 8.58044 11.1563 8.40993 7.34473 7 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 9.94179 6.70853 9.52634 13.2418 6.69554 9.91388 12.2738 7.6656 7.24514 6.761 numMergedOcc 0
23 mol 133 unq 0 iso 1 dist 9.94179 6.70853 9.52634 12.2738 7.6656 7.24514 13.2418 6.69554 9.91388 6.761 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 8.84656 10.879 6.37586 10.9216 5.49782 8.94367 4.9155 5.00817 6.49416 8.80819 numMergedOcc 0
25 mol 134 unq 0 iso 1 dist 8.84656 10.879 6.37586 4.9155 5.00817 6.49416 10.9216 5.49782 8.94367 8.80819 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 4.9155 10.879 6.49416 10.9216 8.80819 8.94367 8.84656 5.00817 6.37586 5.49782 numMergedOcc 0
27 mol 134 unq 1 iso 1 dist 4.9155 10.879 6.49416 8.84656 5.00817 6.37586 10.9216 8.80819 8.94367 5.49782 numMergedOcc 0
28 mol 134 unq 2 iso 0 dist 8.49987 10.9399 6.49416 14.7559 8.80819 8.94367 13.0189 5.00817 6.37586 5.49782 numMergedOcc 0
29 mol 134 unq 2 iso 1 dist 8.49987 10.9399 6.49416 13.0189 5.00817 6.37586 14.7559 8.80819 8.94367 5.49782 numMergedOcc 0
30 mol 134 unq 3 iso 0 dist 9.42271 7.07625 6.49416 9.79337 8.80819 8.94367 10.5814 5.00817 6.37586 5.49782 numMergedOcc 0
31 mol 134 unq 3 iso 1 dist 9.42271 7.07625 6.49416 10.5814 5.00817 6.37586 9.79337 8.80819 8.94367 5.49782 numMergedOcc 0
32 mol 152 unq 0 iso 0 dist 8.34839 10.5295 6.70283 12.6531 5.42328 5.87555 14.5994 6.4896 8.67331 5.54906 numMergedOcc 0
33 mol 152 unq 0 iso 1 dist 8.34839 10.5295 6.70283 14.5994 6.4896 8.67331 12.6531 5.42328 5.87555 5.54906 numMergedOcc 0
34 mol 152 unq 1 iso 0 dist 8.34839 10.7929 7.16148 12.6531 5.42328 8.87437 14.5994 6.4896 8.05741 5.54906 numMergedOcc 0
35 mol 152 unq 1 iso 1 dist 8.34839 10.7929 7.16148 14.5994 6.4896 8.05741 12.6531 5.42328 8.87437 5.54906 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 8.77347 6.05728 7.54065 15.5541 13.8792 9.70748 10.7364 5.74635 8.87694 14.9058 numMergedOcc 0
37 mol 186 unq 0 iso 1 dist 8.77347 6.05728 7.54065 10.7364 5.74635 8.87694 15.5541 13.8792 9.70748 14.9058 numMergedOcc 0
38 mol 205 unq 0 iso 0 dist 9.25882 9.40714 7.80463 13.7769 8.18714 6.03031 16.4532 13.8543 7.26832 7.38516 numMergedOcc 0
39 mol 205 unq 0 iso 1 dist 9.25882 9.40714 7.80463 16.4532 13.8543 7.26832 13.7769 8.18714 6.03031 7.38516 numMergedOcc 0
40 mol 224 unq 0 iso 0 dist 8.14754 7.43271 5.81334 10.5219 5.60236 5.78342 14.3431 6.91102 9.16166 5.0744 numMergedOcc 0
41 mol 224 unq 0 iso 1 dist 8.14754 7.43271 5.81334 14.3431 6.91102 9.16166 10.5219 5.60236 5.78342 5.0744 numMergedOcc 0
42 mol 236 unq 0 iso 0 dist 8.95071 18.4732 9.99038 16.0063 9.90963 8.03456 17.4517 11.3368 6.84306 5.79505 numMergedOcc 0
43 mol 236 unq 0 iso 1 dist 8.95071 18.4732 9.99038 17.4517 11.3368 6.84306 16.0063 9.90963 8.03456 5.79505 numMergedOcc 0
44 mol 236 unq 1 iso 0 dist 8.95071 18.4732 9.99038 16.0063 9.90963 8.03456 18.1272 11.1557 9.78037 6.96005 numMergedOcc 0
45 mol 236 unq 1 iso 1 dist 8.95071 18.4732 9.99038 18.1272 11.1557 9.78037 16.0063 9.90963 8.03456 6.96005 numMergedOcc 0
46 mol 236 unq 2 iso 0 dist 8.95071 18.4732 9.99038 16.0063 9.90963 8.03456 19.2865 10.7497 8.35971 14.2337 numMergedOcc 0
47 mol 236 unq 2 iso 1 dist 8.95071 18.4732 9.99038 19.2865 10.7497 8.35971 16.0063 9.90963 8.03456 14.2337 numMergedOcc 0
48 mol 236 unq 1 iso 0 dist 8.95071 18.4732 9.99038 17.4517 11.3368 6.84306 18.1272 11.1557 9.78037 11.8739 numMergedOcc 0
49 mol 236 unq 1 iso 1 dist 8.95071 18.4732 9.99038 18.1272 11.1557 9.78037 17.4517 11.3368 6.84306 11.8739 numMergedOcc 0
50 mol 236 unq 2 iso 0 dist 8.95071 18.4732 9.99038 17.4517 11.3368 6.84306 19.2865 10.7497 8.35971 14.7998 numMergedOcc 0
51 mol 236 unq 2 iso 1 dist 8.95071 18.4732 9.99038 19.2865 10.7497 8.35971 17.4517 11.3368 6.84306 14.7998 numMergedOcc 0
52 mol 236 unq 2 iso 0 dist 8.95071 18.4732 9.99038 18.1272 11.1557 9.78037 19.2865 10.7497 8.35971 12.0369 numMergedOcc 0
53 mol 236 unq 2 iso 1 dist 8.95071 18.4732 9.99038 19.2865 10.7497 8.35971 18.1272 11.1557 9.78037 12.0369 numMergedOcc 0
54 mol 236 unq 3 iso 0 dist 8.95071 12.8358 6.27581 16.0063 9.90963 9.81562 17.4517 11.3368 7.68742 5.79505 numMergedOcc 0
55 mol 236 unq 3 iso 1 dist 8.95071 12.8358 6.27581 17.4517 11.3368 7.68742 16.0063 9.90963 9.81562 5.79505 numMergedOcc 0
56 mol 252 unq 0 iso 0 dist 6.17985 6.02958 8.33025 11.8637 8.41807 9.2288 13.0333 14.9102 7.19638 11.7918 numMergedOcc 0
57 mol 252 unq 0 iso 1 dist 6.17985 6.02958 8.33025 13.0333 14.9102 7.19638 11.8637 8.41807 9.2288 11.7918 numMergedOcc 0
