0 mol 24 unq 0 iso 0 dist 6.36381 5.80023 7.27472 9.54519 5.50396 7.36323 13.2653 9.33482 12.3067 5.54419 numMergedOcc 0
1 mol 88 unq 0 iso 0 dist 9.44737 13.7888 7.80898 20.2968 12.1193 9.36773 19.3282 12.785 5.57085 8.31336 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 9.43496 9.56471 7.06939 9.96037 4.3481 9.33898 17.0798 12.4681 13.1316 9.64443 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 9.70292 5.69671 8.57395 9.65047 14.2178 8.03644 5.33325 14.1515 8.41707 7.27724 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 9.59704 5.69671 9.85409 9.65047 8.78079 8.03644 5.33325 10.3132 8.41707 7.27724 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 5.33961 12.7318 7.54889 14.4342 10.4782 6.10456 12.3919 9.81956 8.40073 5.08437 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 5.33961 12.7318 7.54889 14.4342 10.4782 6.10456 13.8659 10.8223 9.42358 6.48948 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 8.3505 4.75138 5.10496 5.9747 3.9764 5.08437 10.4417 5.92242 9.51923 6.48948 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 8.3505 4.75138 5.10496 5.9747 3.9764 5.08437 11.3628 5.2571 8.40073 6.10456 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 8.3505 10.4417 5.92242 5.9747 3.9764 6.48948 4.75138 5.10496 9.51923 5.08437 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 8.3505 10.4417 5.92242 5.9747 3.9764 6.48948 11.3628 5.2571 9.42358 6.10456 numMergedOcc 0
11 mol 98 unq 6 iso 0 dist 8.3505 11.3628 5.2571 5.9747 3.9764 6.10456 4.75138 5.10496 8.40073 5.08437 numMergedOcc 0
12 mol 98 unq 7 iso 0 dist 8.3505 11.3628 5.2571 5.9747 3.9764 6.10456 10.4417 5.92242 9.42358 6.48948 numMergedOcc 0
13 mol 98 unq 8 iso 0 dist 7.34638 10.4417 7.02507 5.9747 7.03983 6.48948 4.75138 9.89095 9.51923 5.08437 numMergedOcc 0
14 mol 98 unq 9 iso 0 dist 7.34638 10.4417 7.02507 5.9747 7.03983 6.48948 11.3628 12.7417 9.42358 6.10456 numMergedOcc 0
15 mol 98 unq 10 iso 0 dist 6.0995 9.63267 7.02507 4.50572 7.03983 6.48948 6.88489 9.89095 9.51923 5.08437 numMergedOcc 0
16 mol 98 unq 11 iso 0 dist 6.0995 9.63267 7.02507 4.50572 7.03983 6.48948 9.82583 12.7417 9.42358 6.10456 numMergedOcc 0
17 mol 98 unq 12 iso 0 dist 9.29816 14.676 7.54889 16.5524 10.4782 6.10456 17.0916 9.81956 8.40073 5.08437 numMergedOcc 0
18 mol 98 unq 13 iso 0 dist 9.29816 14.676 7.54889 16.5524 10.4782 6.10456 12.7455 10.8223 9.42358 6.48948 numMergedOcc 0
19 mol 98 unq 14 iso 0 dist 5.08983 7.1452 7.54889 12.3884 10.4782 6.10456 12.4265 9.81956 8.40073 5.08437 numMergedOcc 0
20 mol 98 unq 15 iso 0 dist 5.08983 7.1452 7.54889 12.3884 10.4782 6.10456 14.0653 10.8223 9.42358 6.48948 numMergedOcc 0
21 mol 109 unq 0 iso 0 dist 6.67635 10.0698 7.86666 17.0778 13.0886 7.34473 15.4847 14.3511 7 8.58044 numMergedOcc 0
22 mol 109 unq 1 iso 0 dist 6.67635 10.0698 7.86666 17.0778 13.0886 7.34473 15.6685 15.7916 8.40993 9.97763 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 6.31773 5.28901 6.04595 5.02717 5.03039 7.30858 6.75472 10.5599 10.8507 5.83991 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 6.31773 5.28901 6.04595 5.02717 5.03039 7.30858 11.0268 11.8378 11.5723 7.88312 numMergedOcc 0
25 mol 115 unq 2 iso 0 dist 8.42219 5.24961 6.39384 12.5192 6.63111 9.33865 11.8122 9.42082 7.69052 5.83991 numMergedOcc 0
26 mol 115 unq 3 iso 0 dist 8.42219 5.24961 6.39384 10.8398 6.07067 6.11741 11.8122 9.42082 7.69052 7.88312 numMergedOcc 0
27 mol 115 unq 4 iso 0 dist 8.42219 11.8122 9.42082 12.5192 6.63111 5.83991 5.24961 6.39384 7.69052 9.33865 numMergedOcc 0
28 mol 115 unq 5 iso 0 dist 8.42219 11.8122 9.42082 10.8398 6.07067 7.88312 5.24961 6.39384 7.69052 6.11741 numMergedOcc 0
29 mol 117 unq 0 iso 0 dist 6.78655 5.27151 8.19331 6.90827 3.55765 7.83136 10.4485 10.4223 7.22206 7.90328 numMergedOcc 0
30 mol 117 unq 1 iso 0 dist 6.78655 5.27151 8.19331 6.90827 3.55765 7.83136 4.45276 8.85711 7.21564 7.0603 numMergedOcc 0
31 mol 117 unq 2 iso 0 dist 6.78655 4.45276 8.85711 6.90827 3.55765 7.0603 10.4485 10.4223 9.3584 7.90328 numMergedOcc 0
32 mol 117 unq 3 iso 0 dist 6.78655 4.45276 8.85711 6.90827 3.55765 7.0603 5.27151 8.19331 7.21564 7.83136 numMergedOcc 0
33 mol 117 unq 4 iso 0 dist 9.42037 10.6616 8.19331 8.90977 3.55765 7.83136 13.8755 10.4223 7.22206 7.90328 numMergedOcc 0
34 mol 117 unq 5 iso 0 dist 9.42037 10.6616 8.19331 8.90977 3.55765 7.83136 4.98254 8.85711 7.21564 7.0603 numMergedOcc 0
35 mol 117 unq 6 iso 0 dist 9.42037 4.98254 8.85711 8.90977 3.55765 7.0603 13.8755 10.4223 9.3584 7.90328 numMergedOcc 0
36 mol 117 unq 7 iso 0 dist 9.42037 4.98254 8.85711 8.90977 3.55765 7.0603 10.6616 8.19331 7.21564 7.83136 numMergedOcc 0
37 mol 127 unq 0 iso 0 dist 8.75894 4.70935 6.08673 9.8685 12.8087 9.30299 4.02121 12.1234 7.30196 8.14887 numMergedOcc 0
38 mol 129 unq 0 iso 0 dist 6.53559 6.43966 5.51197 10.2333 12.1739 8.54584 8.71289 9.97604 4.61027 8.53613 numMergedOcc 0
39 mol 129 unq 1 iso 0 dist 8.09774 5.56946 5.51197 13.5311 12.1739 8.54584 6.4379 9.97604 4.61027 8.53613 numMergedOcc 0
40 mol 129 unq 2 iso 0 dist 7.90844 6.43966 8.86944 10.2333 5.63254 8.54584 8.71289 11.1246 4.61027 8.53613 numMergedOcc 0
41 mol 131 unq 0 iso 0 dist 9.10434 5.6098 9.27976 6.31125 3.98662 8.40312 4.29914 10.0551 5.55373 7.12972 numMergedOcc 0
42 mol 131 unq 1 iso 0 dist 9.10434 5.6098 9.27976 6.31125 3.98662 8.40312 5.59449 10.7579 10.7062 6.85062 numMergedOcc 0
43 mol 134 unq 0 iso 0 dist 8.78303 11.9294 9.33094 9.55556 7.41373 8.94367 6.36794 8.69531 6.81259 9.86662 numMergedOcc 0
44 mol 134 unq 1 iso 0 dist 8.78303 11.9294 9.33094 12.1043 10.8635 6.37586 6.36794 8.69531 6.81259 9.71307 numMergedOcc 0
45 mol 134 unq 2 iso 0 dist 8.78303 11.9294 9.33094 16.0579 12.3479 6.49416 16.3074 11.2896 5.00526 6.54501 numMergedOcc 0
46 mol 134 unq 3 iso 0 dist 8.78303 6.36794 8.69531 9.55556 7.41373 9.86662 11.9294 9.33094 6.81259 8.94367 numMergedOcc 0
47 mol 134 unq 4 iso 0 dist 8.78303 6.36794 8.69531 12.1043 10.8635 9.71307 11.9294 9.33094 6.81259 6.37586 numMergedOcc 0
48 mol 142 unq 0 iso 0 dist 9.15758 7.17402 7.18002 11.8539 13.5913 9.2313 7.01127 10.7696 5.32922 5.31024 numMergedOcc 0
49 mol 142 unq 1 iso 0 dist 9.15758 7.17402 7.18002 12.2814 9.99555 7.73169 7.01127 10.7696 5.32922 7.26382 numMergedOcc 0
50 mol 155 unq 0 iso 0 dist 7.25009 10.4606 8.97626 13.0657 9.16779 7.46303 14.7279 12.9034 5.71071 6.23493 numMergedOcc 0
51 mol 224 unq 0 iso 0 dist 6.32334 6.31508 6.99769 8.46129 5.76843 6.65832 5.72088 8.79428 6.77699 6.60589 numMergedOcc 0
52 mol 224 unq 1 iso 0 dist 6.32334 6.31508 6.99769 8.46129 5.76843 6.65832 6.51315 6.8692 11.328 9.16166 numMergedOcc 0
53 mol 224 unq 2 iso 0 dist 6.32334 5.72088 8.79428 8.39002 7.05804 6.57273 9.98893 13.2325 4.70378 8.95269 numMergedOcc 0
54 mol 224 unq 3 iso 0 dist 6.32334 5.72088 8.79428 8.39002 7.05804 6.57273 6.51315 6.8692 8.49799 5.78342 numMergedOcc 0
55 mol 224 unq 4 iso 0 dist 6.32334 5.72088 8.79428 8.46129 5.76843 6.60589 6.31508 6.99769 6.77699 6.65832 numMergedOcc 0
56 mol 224 unq 5 iso 0 dist 6.32334 5.72088 8.79428 8.46129 5.76843 6.60589 6.51315 6.8692 8.49799 9.16166 numMergedOcc 0
57 mol 224 unq 6 iso 0 dist 6.32334 6.51315 6.8692 8.39002 7.05804 5.78342 9.98893 13.2325 11.5372 8.95269 numMergedOcc 0
58 mol 224 unq 7 iso 0 dist 6.32334 6.51315 6.8692 8.39002 7.05804 5.78342 5.72088 8.79428 8.49799 6.57273 numMergedOcc 0
59 mol 224 unq 8 iso 0 dist 6.32334 6.51315 6.8692 8.46129 5.76843 9.16166 6.31508 6.99769 11.328 6.65832 numMergedOcc 0
60 mol 224 unq 9 iso 0 dist 6.32334 6.51315 6.8692 8.46129 5.76843 9.16166 5.72088 8.79428 8.49799 6.60589 numMergedOcc 0
61 mol 238 unq 0 iso 0 dist 7.13727 6.45589 9.12776 10.9193 10.3162 7.31233 5.60375 8.69015 5.34096 6.22714 numMergedOcc 0
62 mol 238 unq 1 iso 0 dist 8.56975 9.23693 9.12776 14.9617 10.3162 7.31233 10.42 8.69015 5.34096 6.22714 numMergedOcc 0
63 mol 259 unq 0 iso 0 dist 4.95855 5.41945 5.85442 10.5892 10.067 7.46176 12.1767 10.3406 6.96053 7.88519 numMergedOcc 0
64 mol 259 unq 1 iso 0 dist 4.95855 5.41945 5.85442 10.5892 10.067 7.46176 12.8636 12.8546 7.64658 7.84554 numMergedOcc 0
65 mol 259 unq 2 iso 0 dist 4.95855 5.41945 5.85442 10.5892 10.067 7.46176 14.4131 16.0301 10.5239 9.18903 numMergedOcc 0
66 mol 259 unq 3 iso 0 dist 7.72489 12.1767 9.46361 13.6898 12.2293 8.13497 20.4042 18.7675 10.582 8.53687 numMergedOcc 0
67 mol 259 unq 4 iso 0 dist 7.72489 12.1767 9.46361 10.5892 11.6988 7.88519 12.8636 12.8903 4.86771 7.84554 numMergedOcc 0
68 mol 259 unq 5 iso 0 dist 7.72489 12.1767 9.46361 10.5892 11.6988 7.88519 5.41945 6.95511 6.96053 7.46176 numMergedOcc 0
69 mol 259 unq 6 iso 0 dist 7.72489 12.1767 9.46361 10.5892 11.6988 7.88519 14.4131 17.104 10.4881 9.18903 numMergedOcc 0
70 mol 259 unq 7 iso 0 dist 7.72489 5.41945 6.95511 10.5892 11.6988 7.46176 12.1767 9.46361 6.96053 7.88519 numMergedOcc 0
71 mol 259 unq 8 iso 0 dist 7.72489 5.41945 6.95511 10.5892 11.6988 7.46176 12.8636 12.8903 7.64658 7.84554 numMergedOcc 0
72 mol 259 unq 9 iso 0 dist 7.72489 5.41945 6.95511 10.5892 11.6988 7.46176 14.4131 17.104 10.5239 9.18903 numMergedOcc 0
