0 mol 25 unq 0 iso 0 dist 8.40051 5.77745 5.63212 5.8503 11.9561 7.05196 8.6396 10.9391 6.47509 5.04899 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.88413 8.27137 11.4148 5.59268 7.17969 4.79873 10.5993 4.33106 10.2864 7.57578 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 9.87281 8.27137 14.1577 5.59268 12.4135 4.79873 10.5993 10.8603 10.2864 7.57578 numMergedOcc 0
3 mol 25 unq 3 iso 0 dist 9.87281 8.27137 14.1577 5.59268 12.4135 4.79873 8.88413 10.8648 11.4148 7.17969 numMergedOcc 0
4 mol 25 unq 4 iso 0 dist 7.63928 8.27137 14.321 5.59268 11.6743 4.79873 10.5993 11.9355 10.2864 7.57578 numMergedOcc 0
5 mol 25 unq 5 iso 0 dist 7.63928 8.27137 14.321 5.59268 11.6743 4.79873 8.88413 10.2779 11.4148 7.17969 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 8.69069 9.70292 7.26851 5.69671 11.659 8.57395 12.5791 14.3902 8.28518 9.03572 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 8.69069 9.70292 7.26851 5.69671 11.659 8.57395 13.9545 16.0292 9.22202 8.83255 numMergedOcc 0
8 mol 95 unq 2 iso 0 dist 8.69069 9.70292 7.26851 5.69671 11.659 8.57395 9.65047 15.3836 14.2178 8.03644 numMergedOcc 0
9 mol 95 unq 3 iso 0 dist 8.69069 9.59704 9.13016 5.69671 11.659 9.85409 12.5791 14.3902 15.917 9.03572 numMergedOcc 0
10 mol 95 unq 4 iso 0 dist 8.69069 9.59704 9.13016 5.69671 11.659 9.85409 13.9545 16.0292 13.7484 8.83255 numMergedOcc 0
11 mol 95 unq 5 iso 0 dist 8.69069 9.59704 9.13016 5.69671 11.659 9.85409 9.65047 15.3836 8.78079 8.03644 numMergedOcc 0
12 mol 95 unq 6 iso 0 dist 9.65047 9.70292 14.2178 5.69671 8.03644 8.57395 12.5791 16.6055 8.28518 9.03572 numMergedOcc 0
13 mol 95 unq 7 iso 0 dist 9.65047 9.70292 14.2178 5.69671 8.03644 8.57395 13.9545 13.8105 9.22202 8.83255 numMergedOcc 0
14 mol 95 unq 8 iso 0 dist 9.65047 9.59704 8.78079 5.69671 8.03644 9.85409 12.5791 16.6055 15.917 9.03572 numMergedOcc 0
15 mol 95 unq 9 iso 0 dist 9.65047 9.59704 8.78079 5.69671 8.03644 9.85409 13.9545 13.8105 13.7484 8.83255 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 6.48328 8.42219 8.14031 5.24961 9.55515 6.39384 12.5192 14.0903 6.63111 9.33865 numMergedOcc 0
17 mol 115 unq 1 iso 0 dist 6.48328 8.42219 8.14031 5.24961 9.55515 6.39384 10.8398 12.5968 6.07067 6.11741 numMergedOcc 0
18 mol 115 unq 2 iso 0 dist 6.48328 8.42219 8.14031 11.8122 15.8031 9.42082 18.633 22.4856 15.3161 7.30858 numMergedOcc 0
19 mol 115 unq 3 iso 0 dist 6.48328 8.42219 8.14031 11.8122 15.8031 9.42082 12.5192 14.0903 6.63111 5.83991 numMergedOcc 0
20 mol 115 unq 4 iso 0 dist 6.48328 8.42219 8.14031 11.8122 15.8031 9.42082 10.8398 12.5968 6.07067 7.88312 numMergedOcc 0
21 mol 129 unq 0 iso 0 dist 6.38163 6.53559 6.28232 6.43966 10.1333 5.51197 10.2333 15.8709 12.1739 8.54584 numMergedOcc 0
22 mol 129 unq 1 iso 0 dist 6.38163 7.90844 12.3705 6.43966 10.1333 8.86944 10.2333 15.8709 5.63254 8.54584 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 9.60369 8.78303 4.46337 11.9294 11.7385 9.33094 9.55556 5.62899 7.41373 8.94367 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 9.60369 8.78303 4.46337 11.9294 11.7385 9.33094 12.1043 10.7144 10.8635 6.37586 numMergedOcc 0
25 mol 134 unq 2 iso 0 dist 9.60369 8.78303 4.46337 11.9294 11.7385 9.33094 16.0579 12.8168 12.3479 6.49416 numMergedOcc 0
26 mol 134 unq 3 iso 0 dist 9.60369 8.78303 4.46337 6.36794 11.3835 8.69531 9.55556 5.62899 7.41373 9.86662 numMergedOcc 0
27 mol 134 unq 4 iso 0 dist 9.60369 8.78303 4.46337 6.36794 11.3835 8.69531 12.1043 10.7144 10.8635 9.71307 numMergedOcc 0
28 mol 134 unq 5 iso 0 dist 9.55556 8.78303 7.41373 11.9294 8.94367 9.33094 12.1043 5.49782 10.8635 6.37586 numMergedOcc 0
29 mol 134 unq 6 iso 0 dist 9.55556 8.78303 7.41373 11.9294 8.94367 9.33094 16.0579 8.80819 12.3479 6.49416 numMergedOcc 0
30 mol 134 unq 7 iso 0 dist 9.55556 8.78303 7.41373 6.36794 9.86662 8.69531 12.1043 5.49782 10.8635 9.71307 numMergedOcc 0
31 mol 155 unq 0 iso 0 dist 4.44292 7.25009 7.10286 10.4606 10.7829 8.97626 13.0657 10.7349 9.16779 7.46303 numMergedOcc 0
32 mol 155 unq 1 iso 0 dist 4.44292 7.25009 7.10286 10.4606 10.7829 8.97626 10.6076 10.7616 4.91785 6.43582 numMergedOcc 0
33 mol 205 unq 0 iso 0 dist 6.752 6.41148 8.67921 4.2475 7.45763 6.49765 13.2057 11.8283 10.6504 9.61492 numMergedOcc 0
34 mol 205 unq 1 iso 0 dist 8.10287 5.06713 8.90569 6.8901 13.4269 6.49765 13.3164 14.7378 10.6504 9.61492 numMergedOcc 0
35 mol 205 unq 2 iso 0 dist 8.10287 5.06713 8.90569 6.8901 13.4269 6.49765 5.4913 9.33648 8.67921 7.45763 numMergedOcc 0
36 mol 205 unq 3 iso 0 dist 5.4913 5.06713 8.67921 6.8901 7.45763 6.49765 13.3164 11.8283 10.6504 9.61492 numMergedOcc 0
37 mol 224 unq 0 iso 0 dist 8.39002 6.32334 7.05804 6.31508 10.103 6.99769 8.46129 5.0744 5.76843 6.65832 numMergedOcc 0
38 mol 224 unq 1 iso 0 dist 8.39002 6.32334 7.05804 5.72088 6.57273 8.79428 8.46129 5.0744 5.76843 6.60589 numMergedOcc 0
39 mol 224 unq 2 iso 0 dist 8.39002 6.32334 7.05804 6.51315 5.78342 6.8692 8.46129 5.0744 5.76843 9.16166 numMergedOcc 0
40 mol 224 unq 3 iso 0 dist 8.39002 6.32334 7.05804 6.51315 5.78342 6.8692 9.2053 5.60236 4.54188 5.81334 numMergedOcc 0
41 mol 224 unq 4 iso 0 dist 8.46129 6.32334 5.76843 5.72088 6.60589 8.79428 8.39002 5.0744 7.05804 6.57273 numMergedOcc 0
42 mol 224 unq 5 iso 0 dist 8.46129 6.32334 5.76843 6.51315 9.16166 6.8692 8.39002 5.0744 7.05804 5.78342 numMergedOcc 0
43 mol 224 unq 6 iso 0 dist 8.46129 6.32334 5.76843 6.51315 9.16166 6.8692 9.2053 6.91102 4.54188 5.81334 numMergedOcc 0
44 mol 224 unq 7 iso 0 dist 9.2053 6.32334 4.54188 6.31508 10.9745 6.99769 8.46129 6.91102 5.76843 6.65832 numMergedOcc 0
45 mol 224 unq 8 iso 0 dist 9.2053 6.32334 4.54188 5.72088 10.5128 8.79428 8.39002 5.60236 7.05804 6.57273 numMergedOcc 0
46 mol 224 unq 9 iso 0 dist 9.2053 6.32334 4.54188 5.72088 10.5128 8.79428 8.46129 6.91102 5.76843 6.60589 numMergedOcc 0
47 mol 224 unq 10 iso 0 dist 9.2053 6.32334 4.54188 6.51315 5.81334 6.8692 8.39002 5.60236 7.05804 5.78342 numMergedOcc 0
48 mol 224 unq 11 iso 0 dist 9.2053 6.32334 4.54188 6.51315 5.81334 6.8692 8.46129 6.91102 5.76843 9.16166 numMergedOcc 0
49 mol 238 unq 0 iso 0 dist 9.94315 7.13727 7.06793 6.45589 14.6111 9.12776 10.9193 17.126 10.3162 7.31233 numMergedOcc 0
50 mol 238 unq 1 iso 0 dist 8.59074 8.56975 7.06793 9.23693 14.6111 9.12776 14.9617 17.126 10.3162 7.31233 numMergedOcc 0
51 mol 259 unq 0 iso 0 dist 9.12507 4.95855 7.09907 5.41945 11.858 5.85442 10.5892 12.5353 10.067 7.46176 numMergedOcc 0
52 mol 259 unq 1 iso 0 dist 9.12507 7.72489 9.71793 12.1767 15.9169 9.46361 13.6898 13.2121 12.2293 8.13497 numMergedOcc 0
53 mol 259 unq 2 iso 0 dist 9.12507 7.72489 9.71793 12.1767 15.9169 9.46361 10.5892 12.5353 11.6988 7.88519 numMergedOcc 0
54 mol 259 unq 3 iso 0 dist 9.12507 7.72489 9.71793 5.41945 11.858 6.95511 10.5892 12.5353 11.6988 7.46176 numMergedOcc 0
55 mol 264 unq 0 iso 0 dist 7.36905 9.13546 5.71153 13.8765 9.90113 8.29262 19.6488 14.4574 10.7813 9.17653 numMergedOcc 0
56 mol 264 unq 1 iso 0 dist 6.83408 9.13546 6.56539 13.8765 13.9815 8.29262 19.6488 16.6464 10.7813 9.17653 numMergedOcc 0
57 mol 292 unq 0 iso 0 dist 9.64124 5.72473 6.80049 8.04474 11.448 7.20674 9.30668 5.4956 7.8414 8.2734 numMergedOcc 0
