0 mol 7 unq 0 iso 0 dist 9.8603 9.33944 6.22805 14.6665 7.10621 6.96396 16.6461 9.67164 12.2255 13.156 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 6.89666 5.25951 9.23212 4.73237 4.61088 7.86896 6.74026 6.54358 11.3059 4.10106 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.6396 16.5953 8.23292 5.8503 5.04899 12.4427 10.0172 7.52933 11.7739 5.03027 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.6396 16.5953 8.23292 5.8503 5.04899 12.4427 5.23233 6.55597 13.0315 4.69295 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 8.6396 16.5953 8.23292 5.8503 5.04899 12.4427 13.5673 9.71956 9.6847 12.2542 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 8.6396 16.5953 8.23292 5.8503 5.04899 12.4427 10.4709 7.07751 9.50063 8.79309 numMergedOcc 0
6 mol 25 unq 4 iso 0 dist 8.6396 16.5953 8.23292 5.8503 5.04899 12.4427 12.2787 8.23761 9.6251 8.17061 numMergedOcc 0
7 mol 25 unq 5 iso 0 dist 8.6396 16.5953 8.23292 5.8503 5.04899 12.4427 13.591 9.49421 10.985 13.6145 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 8.99491 11.1165 9.10915 4.96726 9.67592 9.73304 9.07673 9.86334 6.24019 5.16015 numMergedOcc 0
9 mol 64 unq 1 iso 0 dist 8.99491 13.6507 8.66921 4.96726 9.67592 10.8918 9.07673 9.86334 7.01498 5.16015 numMergedOcc 0
10 mol 64 unq 2 iso 0 dist 8.99491 7.89444 5.54343 4.96726 9.67592 5.59762 9.07673 9.86334 5.18166 5.16015 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 6.18305 7.53682 6.30194 4.69583 6.19304 10.5627 4.21749 8.68662 10.7557 6.20232 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 6.18305 7.53682 6.30194 4.69583 6.19304 10.5627 5.65986 7.4369 11.1632 5.70116 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 6.4551 4.00834 4.83274 8.78063 6.97941 10.2219 5.79134 9.6952 8.55291 8.66662 numMergedOcc 0
14 mol 76 unq 1 iso 0 dist 6.4551 9.6911 7.89214 8.78063 6.97941 7.74851 5.79134 9.6952 13.2696 8.66662 numMergedOcc 0
15 mol 95 unq 0 iso 0 dist 9.65047 15.0981 9.40559 5.33325 7.27724 13.018 8.55456 9.3948 12.698 3.94537 numMergedOcc 0
16 mol 95 unq 1 iso 0 dist 9.65047 15.0981 9.40559 5.33325 7.27724 13.018 3.84879 9.74607 12.5563 6.12605 numMergedOcc 0
17 mol 95 unq 2 iso 0 dist 9.65047 15.0981 9.40559 5.69671 8.03644 11.8978 8.55456 9.3948 12.698 11.3215 numMergedOcc 0
18 mol 95 unq 3 iso 0 dist 9.65047 15.0981 9.40559 5.69671 8.03644 11.8978 3.84879 9.74607 12.5563 5.06946 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 9.35868 5.58465 7.44784 8.25001 7.30858 7.64822 4.57067 6.04595 6.3642 5.03039 numMergedOcc 0
20 mol 127 unq 0 iso 0 dist 9.42513 4.42983 7.73139 8.60326 9.30299 11.0785 8.71432 6.08673 4.66329 12.8087 numMergedOcc 0
21 mol 127 unq 1 iso 0 dist 9.42513 9.88569 6.66607 8.60326 9.30299 8.89539 8.71432 6.08673 7.30158 12.8087 numMergedOcc 0
22 mol 127 unq 2 iso 0 dist 9.42513 5.88232 8.62711 8.60326 9.30299 10.345 8.71432 6.08673 9.74982 12.8087 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 9.60411 10.6313 5.67862 10.5108 6.37586 9.52819 11.6349 9.33924 7.77359 6.95573 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 9.60411 10.6313 5.67862 10.5108 6.37586 9.52819 3.76211 7.93372 10.8891 8.06642 numMergedOcc 0
25 mol 134 unq 2 iso 0 dist 9.60411 10.6313 5.67862 6.20443 9.71307 12.4156 11.6349 9.33924 7.77359 10.2026 numMergedOcc 0
26 mol 134 unq 3 iso 0 dist 9.60411 10.6313 5.67862 6.20443 9.71307 12.4156 3.76211 7.93372 10.8891 4.00092 numMergedOcc 0
27 mol 143 unq 0 iso 0 dist 8.30654 11.7934 7.5984 11.3469 5.99315 5.11989 9.60065 7.36975 14.6282 13.1926 numMergedOcc 0
28 mol 143 unq 1 iso 0 dist 8.30654 11.7934 7.5984 11.3469 5.99315 5.11989 4.68518 5.40637 7.11802 7.39837 numMergedOcc 0
29 mol 214 unq 0 iso 0 dist 9.51764 18.2005 9.40003 6.28065 9.65138 16.5528 14.8375 7.46481 7.66602 11.4955 numMergedOcc 0
30 mol 214 unq 1 iso 0 dist 9.51764 18.2005 9.40003 11.2159 7.14453 9.11345 14.8375 7.46481 7.66602 8.459 numMergedOcc 0
31 mol 214 unq 2 iso 0 dist 9.51764 18.2005 9.40003 6.53326 8.85478 16.922 14.8375 7.46481 7.66602 11.1534 numMergedOcc 0
32 mol 214 unq 3 iso 0 dist 9.51764 4.74203 8.68385 6.28065 9.65138 10.2443 14.8375 7.46481 15.5553 11.4955 numMergedOcc 0
33 mol 214 unq 4 iso 0 dist 9.51764 4.74203 8.68385 11.2159 7.14453 12.5421 14.8375 7.46481 15.5553 8.459 numMergedOcc 0
34 mol 214 unq 5 iso 0 dist 9.51764 4.74203 8.68385 6.53326 8.85478 9.18071 14.8375 7.46481 15.5553 11.1534 numMergedOcc 0
35 mol 214 unq 6 iso 0 dist 5.36829 4.87713 9.40003 11.7583 9.65138 16.5528 5.47184 7.46481 7.66602 11.4955 numMergedOcc 0
36 mol 214 unq 7 iso 0 dist 5.36829 4.87713 9.40003 4.98764 7.14453 9.11345 5.47184 7.46481 7.66602 8.459 numMergedOcc 0
37 mol 214 unq 8 iso 0 dist 5.36829 4.87713 9.40003 12.3481 8.85478 16.922 5.47184 7.46481 7.66602 11.1534 numMergedOcc 0
38 mol 214 unq 9 iso 0 dist 5.36829 13.4762 8.68385 11.7583 9.65138 10.2443 5.47184 7.46481 15.5553 11.4955 numMergedOcc 0
39 mol 214 unq 10 iso 0 dist 5.36829 13.4762 8.68385 4.98764 7.14453 12.5421 5.47184 7.46481 15.5553 8.459 numMergedOcc 0
40 mol 214 unq 11 iso 0 dist 5.36829 13.4762 8.68385 12.3481 8.85478 9.18071 5.47184 7.46481 15.5553 11.1534 numMergedOcc 0
41 mol 229 unq 0 iso 0 dist 5.57702 5.17118 8.0007 6.21233 9.87838 5.29674 3.72432 6.95201 6.80826 4.61227 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 8.06771 5.73217 6.96379 6.64729 8.13497 10.908 9.0675 9.46361 8.41608 12.2293 numMergedOcc 0
43 mol 259 unq 1 iso 0 dist 8.06771 5.73217 6.96379 9.79538 7.88519 12.7595 9.0675 9.46361 8.41608 11.6988 numMergedOcc 0
