0 mol 18 unq 0 iso 0 dist 6.39307 4.25207 5.65084 11.0331 12.6536 9.51761 11.4245 9.36767 7.3094 9.70492 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 6.39307 4.25207 5.65084 11.4245 9.36767 7.3094 11.0331 12.6536 9.51761 9.70492 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.27137 5.59268 4.79873 10.5993 10.2864 7.57578 8.88413 11.4148 7.17969 4.33106 numMergedOcc 0
3 mol 25 unq 0 iso 1 dist 8.27137 5.59268 4.79873 8.88413 11.4148 7.17969 10.5993 10.2864 7.57578 4.33106 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 9.70292 5.69671 8.57395 12.5791 8.28518 9.03572 13.9545 9.22202 8.83255 6.59319 numMergedOcc 0
5 mol 95 unq 0 iso 1 dist 9.70292 5.69671 8.57395 13.9545 9.22202 8.83255 12.5791 8.28518 9.03572 6.59319 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 9.70292 5.69671 8.57395 12.5791 8.28518 9.03572 9.65047 14.2178 8.03644 16.6055 numMergedOcc 0
7 mol 95 unq 1 iso 1 dist 9.70292 5.69671 8.57395 9.65047 14.2178 8.03644 12.5791 8.28518 9.03572 16.6055 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 9.70292 5.69671 8.57395 13.9545 9.22202 8.83255 9.65047 14.2178 8.03644 13.8105 numMergedOcc 0
9 mol 95 unq 1 iso 1 dist 9.70292 5.69671 8.57395 9.65047 14.2178 8.03644 13.9545 9.22202 8.83255 13.8105 numMergedOcc 0
10 mol 95 unq 2 iso 0 dist 9.59704 5.69671 9.85409 12.5791 15.917 9.03572 13.9545 13.7484 8.83255 6.59319 numMergedOcc 0
11 mol 95 unq 2 iso 1 dist 9.59704 5.69671 9.85409 13.9545 13.7484 8.83255 12.5791 15.917 9.03572 6.59319 numMergedOcc 0
12 mol 95 unq 3 iso 0 dist 9.59704 5.69671 9.85409 12.5791 15.917 9.03572 9.65047 8.78079 8.03644 16.6055 numMergedOcc 0
13 mol 95 unq 3 iso 1 dist 9.59704 5.69671 9.85409 9.65047 8.78079 8.03644 12.5791 15.917 9.03572 16.6055 numMergedOcc 0
14 mol 95 unq 3 iso 0 dist 9.59704 5.69671 9.85409 13.9545 13.7484 8.83255 9.65047 8.78079 8.03644 13.8105 numMergedOcc 0
15 mol 95 unq 3 iso 1 dist 9.59704 5.69671 9.85409 9.65047 8.78079 8.03644 13.9545 13.7484 8.83255 13.8105 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 8.42219 5.24961 6.39384 12.5192 6.63111 9.33865 10.8398 6.07067 6.11741 8.02349 numMergedOcc 0
17 mol 115 unq 0 iso 1 dist 8.42219 5.24961 6.39384 10.8398 6.07067 6.11741 12.5192 6.63111 9.33865 8.02349 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 8.42219 11.8122 9.42082 18.633 15.3161 7.30858 12.5192 6.63111 5.83991 10.8507 numMergedOcc 0
19 mol 115 unq 1 iso 1 dist 8.42219 11.8122 9.42082 12.5192 6.63111 5.83991 18.633 15.3161 7.30858 10.8507 numMergedOcc 0
20 mol 115 unq 2 iso 0 dist 8.42219 11.8122 9.42082 18.633 15.3161 7.30858 10.8398 6.07067 7.88312 11.5723 numMergedOcc 0
21 mol 115 unq 2 iso 1 dist 8.42219 11.8122 9.42082 10.8398 6.07067 7.88312 18.633 15.3161 7.30858 11.5723 numMergedOcc 0
22 mol 115 unq 2 iso 0 dist 8.42219 11.8122 9.42082 12.5192 6.63111 5.83991 10.8398 6.07067 7.88312 8.02349 numMergedOcc 0
23 mol 115 unq 2 iso 1 dist 8.42219 11.8122 9.42082 10.8398 6.07067 7.88312 12.5192 6.63111 5.83991 8.02349 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 8.78303 11.9294 9.33094 9.55556 7.41373 8.94367 12.1043 10.8635 6.37586 5.49782 numMergedOcc 0
25 mol 134 unq 0 iso 1 dist 8.78303 11.9294 9.33094 12.1043 10.8635 6.37586 9.55556 7.41373 8.94367 5.49782 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 8.78303 11.9294 9.33094 9.55556 7.41373 8.94367 16.0579 12.3479 6.49416 8.80819 numMergedOcc 0
27 mol 134 unq 1 iso 1 dist 8.78303 11.9294 9.33094 16.0579 12.3479 6.49416 9.55556 7.41373 8.94367 8.80819 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 8.78303 11.9294 9.33094 12.1043 10.8635 6.37586 16.0579 12.3479 6.49416 5.00817 numMergedOcc 0
29 mol 134 unq 1 iso 1 dist 8.78303 11.9294 9.33094 16.0579 12.3479 6.49416 12.1043 10.8635 6.37586 5.00817 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 8.78303 6.36794 8.69531 9.55556 7.41373 9.86662 12.1043 10.8635 9.71307 5.49782 numMergedOcc 0
31 mol 134 unq 2 iso 1 dist 8.78303 6.36794 8.69531 12.1043 10.8635 9.71307 9.55556 7.41373 9.86662 5.49782 numMergedOcc 0
32 mol 142 unq 0 iso 0 dist 9.15758 7.17402 7.18002 11.8539 13.5913 9.2313 12.2814 9.99555 7.73169 5.50998 numMergedOcc 0
33 mol 142 unq 0 iso 1 dist 9.15758 7.17402 7.18002 12.2814 9.99555 7.73169 11.8539 13.5913 9.2313 5.50998 numMergedOcc 0
34 mol 142 unq 1 iso 0 dist 9.15758 7.17402 7.18002 11.8539 13.5913 9.2313 13.141 6.52253 8.96657 11.1395 numMergedOcc 0
35 mol 142 unq 1 iso 1 dist 9.15758 7.17402 7.18002 13.141 6.52253 8.96657 11.8539 13.5913 9.2313 11.1395 numMergedOcc 0
36 mol 142 unq 1 iso 0 dist 9.15758 7.17402 7.18002 12.2814 9.99555 7.73169 13.141 6.52253 8.96657 5.92693 numMergedOcc 0
37 mol 142 unq 1 iso 1 dist 9.15758 7.17402 7.18002 13.141 6.52253 8.96657 12.2814 9.99555 7.73169 5.92693 numMergedOcc 0
38 mol 155 unq 0 iso 0 dist 7.25009 10.4606 8.97626 13.0657 9.16779 7.46303 10.6076 4.91785 6.43582 7.66392 numMergedOcc 0
39 mol 155 unq 0 iso 1 dist 7.25009 10.4606 8.97626 10.6076 4.91785 6.43582 13.0657 9.16779 7.46303 7.66392 numMergedOcc 0
40 mol 205 unq 0 iso 0 dist 6.41148 4.2475 6.49765 13.2057 10.6504 9.61492 6.752 8.67921 7.45763 11.8283 numMergedOcc 0
41 mol 205 unq 0 iso 1 dist 6.41148 4.2475 6.49765 6.752 8.67921 7.45763 13.2057 10.6504 9.61492 11.8283 numMergedOcc 0
42 mol 205 unq 1 iso 0 dist 5.06713 6.8901 6.49765 13.3164 10.6504 9.61492 5.4913 8.67921 7.45763 11.8283 numMergedOcc 0
43 mol 205 unq 1 iso 1 dist 5.06713 6.8901 6.49765 5.4913 8.67921 7.45763 13.3164 10.6504 9.61492 11.8283 numMergedOcc 0
44 mol 223 unq 0 iso 0 dist 9.6936 8.78003 9.33543 16.8669 13.1538 8.77153 13.1127 5.39728 8.6166 8.51421 numMergedOcc 0
45 mol 223 unq 0 iso 1 dist 9.6936 8.78003 9.33543 13.1127 5.39728 8.6166 16.8669 13.1538 8.77153 8.51421 numMergedOcc 0
46 mol 223 unq 1 iso 0 dist 9.36733 5.33327 9.33543 13.9834 13.1538 8.77153 11.478 5.39728 8.6166 8.51421 numMergedOcc 0
47 mol 223 unq 1 iso 1 dist 9.36733 5.33327 9.33543 11.478 5.39728 8.6166 13.9834 13.1538 8.77153 8.51421 numMergedOcc 0
48 mol 224 unq 0 iso 0 dist 6.32334 5.72088 8.79428 8.39002 7.05804 6.57273 8.46129 5.76843 6.60589 5.0744 numMergedOcc 0
49 mol 224 unq 0 iso 1 dist 6.32334 5.72088 8.79428 8.46129 5.76843 6.60589 8.39002 7.05804 6.57273 5.0744 numMergedOcc 0
50 mol 224 unq 1 iso 0 dist 6.32334 6.51315 6.8692 8.39002 7.05804 5.78342 8.46129 5.76843 9.16166 5.0744 numMergedOcc 0
51 mol 224 unq 1 iso 1 dist 6.32334 6.51315 6.8692 8.46129 5.76843 9.16166 8.39002 7.05804 5.78342 5.0744 numMergedOcc 0
52 mol 224 unq 2 iso 0 dist 6.32334 6.51315 6.8692 8.39002 7.05804 5.78342 9.2053 4.54188 5.81334 5.60236 numMergedOcc 0
53 mol 224 unq 2 iso 1 dist 6.32334 6.51315 6.8692 9.2053 4.54188 5.81334 8.39002 7.05804 5.78342 5.60236 numMergedOcc 0
54 mol 224 unq 2 iso 0 dist 6.32334 6.51315 6.8692 8.46129 5.76843 9.16166 9.2053 4.54188 5.81334 6.91102 numMergedOcc 0
55 mol 224 unq 2 iso 1 dist 6.32334 6.51315 6.8692 9.2053 4.54188 5.81334 8.46129 5.76843 9.16166 6.91102 numMergedOcc 0
56 mol 259 unq 0 iso 0 dist 7.72489 12.1767 9.46361 13.6898 12.2293 8.13497 10.5892 11.6988 7.88519 4.69778 numMergedOcc 0
57 mol 259 unq 0 iso 1 dist 7.72489 12.1767 9.46361 10.5892 11.6988 7.88519 13.6898 12.2293 8.13497 4.69778 numMergedOcc 0
