0 mol 25 unq 0 iso 0 dist 8.94828 6.60191 8.46842 16.0229 9.48085 16.8735 13.2682 10.9391 17.4161 9.49421 numMergedOcc 0
1 mol 112 unq 0 iso 0 dist 7.85583 9.58185 9.13413 10.864 8.47988 11.7536 12.6172 4.8896 11.6374 9.02706 numMergedOcc 0
2 mol 112 unq 1 iso 0 dist 7.85583 9.58185 9.13413 9.95307 8.0427 5.8662 12.6172 4.8896 11.6374 9.39168 numMergedOcc 0
3 mol 112 unq 2 iso 0 dist 8.86938 13.8988 9.13413 9.50897 8.47988 11.7536 12.679 4.8896 11.6374 9.02706 numMergedOcc 0
4 mol 112 unq 3 iso 0 dist 8.86938 13.8988 9.13413 11.9673 8.0427 5.8662 12.679 4.8896 11.6374 9.39168 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 5.50687 5.84146 7.31419 4.4987 5.35237 6.4405 7.30919 6.90348 12.4741 7.99477 numMergedOcc 0
6 mol 134 unq 1 iso 0 dist 5.50687 5.84146 7.31419 4.72407 8.70621 3.64555 8.31276 13.7309 9.92467 6.42772 numMergedOcc 0
7 mol 134 unq 2 iso 0 dist 5.50687 5.84146 7.31419 4.72407 8.70621 3.64555 5.79157 7.09823 9.11672 9.1998 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 8.77347 6.72843 5.47189 8.69152 6.61112 6.7954 15.2469 7.09479 11.0456 8.90571 numMergedOcc 0
9 mol 197 unq 0 iso 0 dist 6.18446 7.6839 7.18765 9.66766 9.10817 4.26432 9.96544 5.43601 7.41091 6.86828 numMergedOcc 0
10 mol 197 unq 1 iso 0 dist 9.96544 7.6839 7.41091 9.66766 6.86828 4.26432 6.18446 5.43601 7.18765 9.10817 numMergedOcc 0
11 mol 218 unq 0 iso 0 dist 9.79816 6.61764 9.95084 15.4347 7.33709 13.8104 12.5084 4.72474 14.328 8.75536 numMergedOcc 0
12 mol 218 unq 1 iso 0 dist 9.79816 6.61764 9.95084 15.4347 7.33709 13.8104 15.3307 5.61978 14.4283 6.67404 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 8.97461 5.83394 9.09166 17.3901 9.08509 17.7087 19.014 10.1813 17.3543 6.99888 numMergedOcc 0
14 mol 257 unq 0 iso 0 dist 6.26533 8.41952 9.13483 4.45177 6.34915 6.16483 9.67549 5.74182 6.44188 7.81897 numMergedOcc 0
15 mol 257 unq 1 iso 0 dist 6.26533 5.44976 5.16581 4.45177 6.34915 5.48725 9.67549 5.74182 5.13633 7.81897 numMergedOcc 0
16 mol 264 unq 0 iso 0 dist 8.85887 3.98643 6.66602 12.6528 9.58916 12.6107 13.3833 8.96144 13.6132 5.90924 numMergedOcc 0
17 mol 264 unq 1 iso 0 dist 8.85887 3.98643 6.66602 12.6528 9.58916 12.6107 17.9702 14.3597 18.2663 5.90058 numMergedOcc 0
18 mol 264 unq 2 iso 0 dist 6.65233 5.92877 6.20796 6.04707 8.29262 4.66338 10.3349 4.92077 8.43682 9.19754 numMergedOcc 0
19 mol 264 unq 3 iso 0 dist 6.65233 9.60654 7.73693 6.04707 8.29262 10.3972 10.3349 4.92077 10.6405 9.19754 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 7.151 7.90123 5.22392 10.3171 9.57499 6.68571 8.53324 7.69449 8.20217 5.46926 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 7.151 7.90123 5.22392 10.3171 9.57499 6.68571 7.23956 11.8268 11.4928 8.9682 numMergedOcc 0
22 mol 277 unq 2 iso 0 dist 8.53324 6.5109 8.23147 10.3171 5.46926 6.40883 7.151 7.69449 10.0577 9.57499 numMergedOcc 0
23 mol 277 unq 3 iso 0 dist 8.53324 6.5109 8.23147 10.3171 5.46926 6.40883 7.23956 7.08227 6.49176 8.9682 numMergedOcc 0
24 mol 277 unq 4 iso 0 dist 8.53324 6.5109 8.23147 10.6814 5.13913 6.79352 7.23956 7.08227 6.49176 6.92711 numMergedOcc 0
25 mol 277 unq 5 iso 0 dist 8.53324 7.90123 8.20217 10.3171 5.46926 6.68571 7.151 7.69449 5.22392 9.57499 numMergedOcc 0
26 mol 277 unq 6 iso 0 dist 8.53324 7.90123 8.20217 10.3171 5.46926 6.68571 7.23956 7.08227 11.4928 8.9682 numMergedOcc 0
27 mol 277 unq 7 iso 0 dist 8.53324 7.90123 8.20217 10.6814 5.13913 9.44642 7.23956 7.08227 11.4928 6.92711 numMergedOcc 0
28 mol 277 unq 8 iso 0 dist 7.23956 13.4588 6.86014 10.3171 8.9682 14.6762 7.151 11.8268 18.2066 9.57499 numMergedOcc 0
29 mol 277 unq 9 iso 0 dist 7.23956 13.4588 6.86014 10.3171 8.9682 14.6762 8.53324 7.08227 12.4435 5.46926 numMergedOcc 0
30 mol 277 unq 10 iso 0 dist 7.23956 13.4588 6.86014 10.6814 6.92711 11.68 8.53324 7.08227 12.4435 5.13913 numMergedOcc 0
31 mol 277 unq 11 iso 0 dist 7.23956 6.34637 5.97073 10.3171 8.9682 11.3103 7.151 11.8268 12.8364 9.57499 numMergedOcc 0
32 mol 277 unq 12 iso 0 dist 7.23956 6.34637 5.97073 10.3171 8.9682 11.3103 8.53324 7.08227 11.2713 5.46926 numMergedOcc 0
33 mol 277 unq 13 iso 0 dist 7.23956 6.34637 5.97073 10.6814 6.92711 10.5734 8.53324 7.08227 11.2713 5.13913 numMergedOcc 0
34 mol 277 unq 14 iso 0 dist 7.23956 6.5109 6.49176 10.3171 8.9682 6.40883 7.151 11.8268 10.0577 9.57499 numMergedOcc 0
35 mol 277 unq 15 iso 0 dist 7.23956 6.5109 6.49176 10.3171 8.9682 6.40883 8.53324 7.08227 8.23147 5.46926 numMergedOcc 0
36 mol 277 unq 16 iso 0 dist 7.23956 6.5109 6.49176 10.6814 6.92711 6.79352 8.53324 7.08227 8.23147 5.13913 numMergedOcc 0
37 mol 277 unq 17 iso 0 dist 8.33977 4.10842 5.22392 5.04761 9.57499 6.68571 8.66941 7.69449 8.20217 5.46926 numMergedOcc 0
38 mol 277 unq 18 iso 0 dist 8.33977 4.10842 5.22392 5.04761 9.57499 6.68571 12.8481 11.8268 11.4928 8.9682 numMergedOcc 0
39 mol 277 unq 19 iso 0 dist 8.66941 8.42001 8.23147 5.04761 5.46926 6.40883 8.33977 7.69449 10.0577 9.57499 numMergedOcc 0
40 mol 277 unq 20 iso 0 dist 8.66941 8.42001 8.23147 5.04761 5.46926 6.40883 12.8481 7.08227 6.49176 8.9682 numMergedOcc 0
41 mol 277 unq 21 iso 0 dist 8.66941 8.42001 8.23147 8.42957 5.13913 6.79352 12.8481 7.08227 6.49176 6.92711 numMergedOcc 0
42 mol 277 unq 22 iso 0 dist 8.66941 4.10842 8.20217 5.04761 5.46926 6.68571 8.33977 7.69449 5.22392 9.57499 numMergedOcc 0
43 mol 277 unq 23 iso 0 dist 8.66941 4.10842 8.20217 5.04761 5.46926 6.68571 12.8481 7.08227 11.4928 8.9682 numMergedOcc 0
44 mol 277 unq 24 iso 0 dist 8.66941 4.10842 8.20217 8.42957 5.13913 9.44642 12.8481 7.08227 11.4928 6.92711 numMergedOcc 0
