0 mol 16 unq 0 iso 0 dist 7.88676 7.46752 6.53177 5.66097 5.84479 7.63133 6.06561 8.67719 5.46498 5.32694 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 7.88676 7.46752 6.53177 6.06561 8.67719 5.46498 5.66097 5.84479 7.63133 5.32694 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 9.27355 4.24428 9.76331 10.8067 9.68526 8.9232 10.5627 7.26679 11.4799 15.7123 numMergedOcc 0
3 mol 73 unq 0 iso 1 dist 9.27355 4.24428 9.76331 10.5627 7.26679 11.4799 10.8067 9.68526 8.9232 15.7123 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 9.27355 4.24428 9.76331 10.8067 9.68526 8.9232 17.4113 9.30776 16.0453 13.7412 numMergedOcc 0
5 mol 73 unq 1 iso 1 dist 9.27355 4.24428 9.76331 17.4113 9.30776 16.0453 10.8067 9.68526 8.9232 13.7412 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 9.27355 4.24428 9.76331 10.5627 7.26679 11.4799 17.4113 9.30776 16.0453 12.016 numMergedOcc 0
7 mol 73 unq 1 iso 1 dist 9.27355 4.24428 9.76331 17.4113 9.30776 16.0453 10.5627 7.26679 11.4799 12.016 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 9.27355 6.30194 5.44275 10.8067 9.68526 10.2049 10.5627 7.26679 6.19304 15.7123 numMergedOcc 0
9 mol 73 unq 2 iso 1 dist 9.27355 6.30194 5.44275 10.5627 7.26679 6.19304 10.8067 9.68526 10.2049 15.7123 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 9.27355 6.30194 5.44275 10.8067 9.68526 10.2049 17.4113 9.30776 11.6369 13.7412 numMergedOcc 0
11 mol 73 unq 3 iso 1 dist 9.27355 6.30194 5.44275 17.4113 9.30776 11.6369 10.8067 9.68526 10.2049 13.7412 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 9.27355 6.30194 5.44275 10.5627 7.26679 6.19304 17.4113 9.30776 11.6369 12.016 numMergedOcc 0
13 mol 73 unq 3 iso 1 dist 9.27355 6.30194 5.44275 17.4113 9.30776 11.6369 10.5627 7.26679 6.19304 12.016 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 8.60363 4.24428 10.4402 10.8067 9.72442 8.9232 16.3515 9.02288 18.5645 17.8791 numMergedOcc 0
15 mol 73 unq 4 iso 1 dist 8.60363 4.24428 10.4402 16.3515 9.02288 18.5645 10.8067 9.72442 8.9232 17.8791 numMergedOcc 0
16 mol 73 unq 5 iso 0 dist 8.60363 6.30194 8.0624 10.8067 9.72442 10.2049 16.3515 9.02288 14.305 17.8791 numMergedOcc 0
17 mol 73 unq 5 iso 1 dist 8.60363 6.30194 8.0624 16.3515 9.02288 14.305 10.8067 9.72442 10.2049 17.8791 numMergedOcc 0
18 mol 114 unq 0 iso 0 dist 5.31281 9.24515 7.18757 7.65733 7.25166 12.6649 5.24877 8.42445 7.5732 11.6284 numMergedOcc 0
19 mol 114 unq 0 iso 1 dist 5.31281 9.24515 7.18757 5.24877 8.42445 7.5732 7.65733 7.25166 12.6649 11.6284 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 6.03184 6.73365 7.28617 5.52686 9.57611 12.0591 5.73338 5.08206 5.6234 9.24932 numMergedOcc 0
21 mol 175 unq 0 iso 1 dist 6.03184 6.73365 7.28617 5.73338 5.08206 5.6234 5.52686 9.57611 12.0591 9.24932 numMergedOcc 0
22 mol 175 unq 1 iso 0 dist 6.03184 9.45659 5.77256 5.52686 9.57611 14.3157 5.73338 5.08206 6.57069 9.24932 numMergedOcc 0
23 mol 175 unq 1 iso 1 dist 6.03184 9.45659 5.77256 5.73338 5.08206 6.57069 5.52686 9.57611 14.3157 9.24932 numMergedOcc 0
24 mol 175 unq 2 iso 0 dist 6.03184 9.44856 4.96871 5.52686 9.57611 13.1497 5.73338 5.08206 9.7158 9.24932 numMergedOcc 0
25 mol 175 unq 2 iso 1 dist 6.03184 9.44856 4.96871 5.73338 5.08206 9.7158 5.52686 9.57611 13.1497 9.24932 numMergedOcc 0
26 mol 206 unq 0 iso 0 dist 7.65323 9.19263 7.40413 6.68626 9.99185 14.9092 7.20088 8.31638 13.4144 5.18293 numMergedOcc 0
27 mol 206 unq 0 iso 1 dist 7.65323 9.19263 7.40413 7.20088 8.31638 13.4144 6.68626 9.99185 14.9092 5.18293 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 7.62593 4.79841 5.41021 11.4653 9.33771 8.95269 12.5358 7.39839 9.99123 5.0744 numMergedOcc 0
29 mol 224 unq 0 iso 1 dist 7.62593 4.79841 5.41021 12.5358 7.39839 9.99123 11.4653 9.33771 8.95269 5.0744 numMergedOcc 0
30 mol 231 unq 0 iso 0 dist 7.28719 9.98232 5.3251 10.9863 7.79865 7.37839 10.2117 6.14348 8.40182 4.06055 numMergedOcc 0
31 mol 231 unq 0 iso 1 dist 7.28719 9.98232 5.3251 10.2117 6.14348 8.40182 10.9863 7.79865 7.37839 4.06055 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 6.76656 6.96379 5.71237 10.908 6.77279 8.13497 12.7595 9.58006 7.88519 4.69778 numMergedOcc 0
33 mol 259 unq 0 iso 1 dist 6.76656 6.96379 5.71237 12.7595 9.58006 7.88519 10.908 6.77279 8.13497 4.69778 numMergedOcc 0
34 mol 264 unq 0 iso 0 dist 7.61232 6.80096 5.11257 8.57403 9.01085 11.8809 8.70128 6.28512 10.6405 5.57311 numMergedOcc 0
35 mol 264 unq 0 iso 1 dist 7.61232 6.80096 5.11257 8.70128 6.28512 10.6405 8.57403 9.01085 11.8809 5.57311 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 9.07452 6.21831 6.57235 6.11218 7.80446 9.10818 11.3921 9.86142 13.0736 5.34251 numMergedOcc 0
37 mol 274 unq 0 iso 1 dist 9.07452 6.21831 6.57235 11.3921 9.86142 13.0736 6.11218 7.80446 9.10818 5.34251 numMergedOcc 0
38 mol 274 unq 1 iso 0 dist 6.12202 9.81087 7.96313 5.7574 7.79904 10.3851 7.23876 9.02749 12.8531 12.8986 numMergedOcc 0
39 mol 274 unq 1 iso 1 dist 6.12202 9.81087 7.96313 7.23876 9.02749 12.8531 5.7574 7.79904 10.3851 12.8986 numMergedOcc 0
40 mol 274 unq 2 iso 0 dist 6.44266 9.79674 9.61244 6.98398 7.80446 15.2761 6.99898 9.86142 16.5774 5.34251 numMergedOcc 0
41 mol 274 unq 2 iso 1 dist 6.44266 9.79674 9.61244 6.99898 9.86142 16.5774 6.98398 7.80446 15.2761 5.34251 numMergedOcc 0
42 mol 274 unq 3 iso 0 dist 6.44266 8.3291 6.57235 6.98398 7.80446 9.10818 6.99898 9.86142 13.0736 5.34251 numMergedOcc 0
43 mol 274 unq 3 iso 1 dist 6.44266 8.3291 6.57235 6.99898 9.86142 13.0736 6.98398 7.80446 9.10818 5.34251 numMergedOcc 0
