0 mol 16 unq 0 iso 0 dist 7.88676 5.66097 5.84479 10.8592 5.35079 6.31718 12.558 9.18436 6.92781 5.05803 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 7.88676 5.66097 5.84479 7.46752 6.53177 7.63133 6.06561 8.67719 5.32694 5.46498 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 7.88676 5.66097 5.84479 7.46752 6.53177 7.63133 8.02077 13.4596 10.4155 8.71745 numMergedOcc 0
3 mol 16 unq 3 iso 0 dist 7.88676 6.06561 8.67719 7.46752 6.53177 5.46498 5.66097 5.84479 5.32694 7.63133 numMergedOcc 0
4 mol 16 unq 4 iso 0 dist 7.88676 6.06561 8.67719 7.46752 6.53177 5.46498 8.02077 13.4596 5.74188 8.71745 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 5.39171 10.5627 6.89722 10.392 10.4716 9.96396 10.8067 11.7436 15.7123 9.38498 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 5.39171 10.5627 6.89722 10.392 10.4716 9.96396 17.4113 14.4206 12.016 9.75218 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 9.27355 10.8067 9.68526 10.392 8.31041 9.38498 10.5627 7.26679 15.7123 9.96396 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 9.27355 10.8067 9.68526 10.392 8.31041 9.38498 17.4113 9.30776 13.7412 9.75218 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 9.27355 10.5627 7.26679 10.392 8.31041 9.96396 10.8067 9.68526 15.7123 9.38498 numMergedOcc 0
10 mol 73 unq 5 iso 0 dist 9.27355 10.5627 7.26679 10.392 8.31041 9.96396 17.4113 9.30776 12.016 9.75218 numMergedOcc 0
11 mol 73 unq 6 iso 0 dist 9.27355 17.4113 9.30776 10.392 8.31041 9.75218 10.5627 7.26679 12.016 9.96396 numMergedOcc 0
12 mol 73 unq 7 iso 0 dist 9.27355 17.4113 9.30776 10.392 8.31041 9.75218 10.8067 9.68526 13.7412 9.38498 numMergedOcc 0
13 mol 73 unq 8 iso 0 dist 8.60363 10.8067 9.72442 10.392 11.7069 9.38498 10.5627 10.1503 15.7123 9.96396 numMergedOcc 0
14 mol 73 unq 9 iso 0 dist 8.60363 10.8067 9.72442 10.392 11.7069 9.38498 17.4113 13.2514 13.7412 9.75218 numMergedOcc 0
15 mol 73 unq 10 iso 0 dist 9.27331 10.163 9.72442 15.2052 11.7069 9.38498 17.0763 10.1503 15.7123 9.96396 numMergedOcc 0
16 mol 73 unq 11 iso 0 dist 9.27331 10.163 9.72442 15.2052 11.7069 9.38498 12.3629 13.2514 13.7412 9.75218 numMergedOcc 0
17 mol 109 unq 0 iso 0 dist 8.59182 12.4009 8.21889 13.6568 5.5332 7.34473 12.8701 9.74643 7 8.58044 numMergedOcc 0
18 mol 109 unq 1 iso 0 dist 8.59182 12.4009 8.21889 13.6568 5.5332 7.34473 5.95831 6.86702 8.40993 9.97763 numMergedOcc 0
19 mol 109 unq 2 iso 0 dist 8.59182 12.8701 9.74643 13.6568 5.5332 8.58044 12.4009 8.21889 7 7.34473 numMergedOcc 0
20 mol 109 unq 3 iso 0 dist 8.59182 12.8701 9.74643 13.6568 5.5332 8.58044 5.95831 6.86702 6.94915 9.97763 numMergedOcc 0
21 mol 109 unq 4 iso 0 dist 8.59182 5.95831 6.86702 13.6568 5.5332 9.97763 12.4009 8.21889 8.40993 7.34473 numMergedOcc 0
22 mol 109 unq 5 iso 0 dist 8.59182 5.95831 6.86702 13.6568 5.5332 9.97763 12.8701 9.74643 6.94915 8.58044 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 7.67341 5.3967 6.7225 8.35604 5.39296 5.11551 11.9798 10.2695 6.5838 7.11972 numMergedOcc 0
24 mol 129 unq 0 iso 0 dist 7.07421 4.80675 6.29026 10.1938 11.5533 8.54584 5.57362 10.5241 4.61027 8.53613 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 7.96689 11.9436 9.48243 15.7632 11.6637 9.91388 16.8088 11.0972 6.69554 9.52634 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 7.96689 11.9436 9.48243 15.7632 11.6637 9.91388 17.0756 14.1743 6.761 7.24514 numMergedOcc 0
27 mol 133 unq 2 iso 0 dist 9.6582 16.3678 9.48243 19.1009 11.6637 9.91388 20.2351 11.0972 6.69554 9.52634 numMergedOcc 0
28 mol 133 unq 3 iso 0 dist 9.6582 16.3678 9.48243 19.1009 11.6637 9.91388 21.5208 14.1743 6.761 7.24514 numMergedOcc 0
29 mol 133 unq 4 iso 0 dist 9.07294 13.1243 8.84018 15.4604 8.00493 6.5107 18.5054 15.1254 9.56949 9.52634 numMergedOcc 0
30 mol 133 unq 5 iso 0 dist 7.50126 15.9524 8.84018 12.9713 8.00493 6.5107 19.8715 15.1254 9.56949 9.52634 numMergedOcc 0
31 mol 152 unq 0 iso 0 dist 5.59682 6.62991 8.89982 11.2249 13.2491 8.56324 13.4463 14.5119 7.65448 6.70283 numMergedOcc 0
32 mol 152 unq 1 iso 0 dist 5.59682 6.62991 8.89982 11.2249 13.2491 8.56324 15.8492 18.3598 10.6875 7.16148 numMergedOcc 0
33 mol 152 unq 2 iso 0 dist 7.71277 7.17016 8.89982 13.9298 13.2491 8.56324 11.3742 14.5119 7.65448 6.70283 numMergedOcc 0
34 mol 152 unq 3 iso 0 dist 7.71277 7.17016 8.89982 13.9298 13.2491 8.56324 16.1858 18.3598 10.6875 7.16148 numMergedOcc 0
35 mol 152 unq 4 iso 0 dist 6.4737 7.20811 9.74498 13.03 10.7816 8.67331 12.3586 12.7397 5.54906 5.87555 numMergedOcc 0
36 mol 152 unq 5 iso 0 dist 6.4737 7.20811 9.74498 13.03 10.7816 8.67331 11.8793 13.0082 6.4896 6.70283 numMergedOcc 0
37 mol 152 unq 6 iso 0 dist 6.4737 7.20811 9.74498 9.36082 7.26476 8.05741 12.3586 12.7397 5.54906 8.87437 numMergedOcc 0
38 mol 152 unq 7 iso 0 dist 6.4737 7.20811 9.74498 9.36082 7.26476 8.05741 11.8793 13.0082 6.4896 7.16148 numMergedOcc 0
39 mol 175 unq 0 iso 0 dist 6.21546 5.73338 8.69888 12.3723 11.5099 9.0018 12.753 14.9263 7.42466 7.652 numMergedOcc 0
40 mol 175 unq 1 iso 0 dist 6.21546 5.73338 8.69888 6.73365 5.50014 5.6234 12.753 14.9263 7.42466 9.92231 numMergedOcc 0
41 mol 175 unq 2 iso 0 dist 6.03184 5.73338 5.08206 12.3723 12.1783 9.0018 12.753 11.7895 7.42466 7.652 numMergedOcc 0
42 mol 175 unq 3 iso 0 dist 6.03184 5.73338 5.08206 6.73365 7.28617 5.6234 12.753 11.7895 7.42466 9.92231 numMergedOcc 0
43 mol 181 unq 0 iso 0 dist 8.78709 9.49952 6.00053 16.4033 11.1879 8.03334 17.5552 16.1735 13.2049 9.1374 numMergedOcc 0
44 mol 220 unq 0 iso 0 dist 7.86207 10.6943 9.8711 8.9077 4.90657 9.23153 15.396 12.6756 10.5449 8.24498 numMergedOcc 0
45 mol 224 unq 0 iso 0 dist 7.47122 15.4433 9.75313 13.3678 6.46679 6.61986 19.1427 14.4547 9.54151 9.40098 numMergedOcc 0
46 mol 224 unq 1 iso 0 dist 5.97988 6.70321 6.08709 11.2702 7.85135 6.61986 11.8088 13.1222 9.54151 9.40098 numMergedOcc 0
47 mol 224 unq 2 iso 0 dist 6.6537 4.55824 9.75313 7.04127 6.46679 6.61986 11.7724 14.4547 9.54151 9.40098 numMergedOcc 0
48 mol 224 unq 3 iso 0 dist 9.08719 4.55824 6.08709 7.04127 7.85135 6.61986 11.7724 13.1222 9.54151 9.40098 numMergedOcc 0
49 mol 224 unq 4 iso 0 dist 7.62593 11.4653 9.33771 9.04374 4.91322 6.57273 12.5358 7.39839 5.0744 6.60589 numMergedOcc 0
50 mol 224 unq 5 iso 0 dist 7.62593 11.4653 9.33771 15.1903 12.979 5.78342 12.5358 7.39839 5.0744 9.16166 numMergedOcc 0
51 mol 224 unq 6 iso 0 dist 7.62593 11.4653 9.33771 15.1903 12.979 5.78342 17.0036 13.527 5.60236 5.81334 numMergedOcc 0
52 mol 224 unq 7 iso 0 dist 7.62593 12.5358 7.39839 9.04374 4.91322 6.60589 11.4653 9.33771 5.0744 6.57273 numMergedOcc 0
53 mol 224 unq 8 iso 0 dist 7.62593 12.5358 7.39839 15.1903 12.979 9.16166 11.4653 9.33771 5.0744 5.78342 numMergedOcc 0
54 mol 224 unq 9 iso 0 dist 7.62593 12.5358 7.39839 15.1903 12.979 9.16166 17.0036 13.527 6.91102 5.81334 numMergedOcc 0
55 mol 224 unq 10 iso 0 dist 7.58998 6.87755 6.23882 12.2287 15.0038 8.95269 9.28732 10.6031 4.70378 6.57273 numMergedOcc 0
56 mol 224 unq 11 iso 0 dist 7.58998 6.87755 6.23882 12.2287 15.0038 8.95269 11.9963 17.1183 11.5372 5.78342 numMergedOcc 0
57 mol 231 unq 0 iso 0 dist 7.28719 10.9863 7.79865 9.98232 5.3251 7.37839 10.2117 6.14348 4.06055 8.40182 numMergedOcc 0
58 mol 231 unq 1 iso 0 dist 7.28719 10.2117 6.14348 9.98232 5.3251 8.40182 10.9863 7.79865 4.06055 7.37839 numMergedOcc 0
59 mol 231 unq 2 iso 0 dist 6.60684 8.54452 7.79865 10.174 5.3251 7.37839 6.95128 6.14348 4.06055 8.40182 numMergedOcc 0
60 mol 231 unq 3 iso 0 dist 6.60684 6.95128 6.14348 10.174 5.3251 8.40182 8.54452 7.79865 4.06055 7.37839 numMergedOcc 0
61 mol 236 unq 0 iso 0 dist 9.13126 5.52669 9.10613 6.73134 6.0258 8.04248 5.27568 12.9448 7.43758 8.35971 numMergedOcc 0
62 mol 238 unq 0 iso 0 dist 5.57184 7.01206 5.24313 13.8075 12.1448 7.31233 10.2489 10.2654 5.34096 6.22714 numMergedOcc 0
63 mol 259 unq 0 iso 0 dist 8.73077 13.6207 6.77279 11.4871 5.71237 8.13497 16.6797 9.58006 4.69778 7.88519 numMergedOcc 0
64 mol 259 unq 1 iso 0 dist 8.73077 16.6797 9.58006 11.4871 5.71237 7.88519 13.6207 6.77279 4.69778 8.13497 numMergedOcc 0
65 mol 259 unq 2 iso 0 dist 6.76656 10.908 6.77279 6.96379 5.71237 8.13497 12.7595 9.58006 4.69778 7.88519 numMergedOcc 0
66 mol 259 unq 3 iso 0 dist 6.76656 12.7595 9.58006 6.96379 5.71237 7.88519 10.908 6.77279 4.69778 8.13497 numMergedOcc 0
67 mol 259 unq 4 iso 0 dist 9.45077 8.63445 7.93997 14.4933 14.8465 7.46176 12.9305 13.8509 6.96053 7.88519 numMergedOcc 0
68 mol 259 unq 5 iso 0 dist 9.45077 8.63445 7.93997 14.4933 14.8465 7.46176 10.9594 14.9816 7.64658 7.84554 numMergedOcc 0
69 mol 259 unq 6 iso 0 dist 9.45077 8.63445 7.93997 14.4933 14.8465 7.46176 11.3482 17.3348 10.5239 9.18903 numMergedOcc 0
70 mol 259 unq 7 iso 0 dist 4.55368 6.18571 7.93997 13.6279 14.8465 7.46176 11.0067 13.8509 6.96053 7.88519 numMergedOcc 0
71 mol 259 unq 8 iso 0 dist 4.55368 6.18571 7.93997 13.6279 14.8465 7.46176 11.569 14.9816 7.64658 7.84554 numMergedOcc 0
72 mol 259 unq 9 iso 0 dist 4.55368 6.18571 7.93997 13.6279 14.8465 7.46176 14.3101 17.3348 10.5239 9.18903 numMergedOcc 0
73 mol 280 unq 0 iso 0 dist 7.3304 7.26698 8.85762 8.27417 4.95798 6.0664 12.0417 11.1402 5.51836 6.53701 numMergedOcc 0
