0 mol 2 unq 0 iso 0 dist 9.08872 9.97525 9.58976 3.9935 9.57645 13.0675 numMergedOcc 0
1 mol 2 unq 0 iso 1 dist 9.08872 3.9935 9.57645 9.97525 9.58976 13.0675 numMergedOcc 0
2 mol 2 unq 1 iso 0 dist 7.37296 11.2776 9.58976 11.0228 9.57645 13.0675 numMergedOcc 0
3 mol 2 unq 1 iso 1 dist 7.37296 11.0228 9.57645 11.2776 9.58976 13.0675 numMergedOcc 0
4 mol 14 unq 0 iso 0 dist 7.04966 9.55728 8.73627 5.68897 8.69369 5.38909 numMergedOcc 0
5 mol 14 unq 0 iso 1 dist 7.04966 5.68897 8.69369 9.55728 8.73627 5.38909 numMergedOcc 0
6 mol 16 unq 0 iso 0 dist 7.88676 5.66097 5.84479 6.06561 8.67719 5.32694 numMergedOcc 0
7 mol 16 unq 0 iso 1 dist 7.88676 6.06561 8.67719 5.66097 5.84479 5.32694 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 7.8986 9.48441 6.6003 4.76091 6.44118 5.87491 numMergedOcc 0
9 mol 64 unq 0 iso 1 dist 7.8986 4.76091 6.44118 9.48441 6.6003 5.87491 numMergedOcc 0
10 mol 64 unq 1 iso 0 dist 7.24183 6.41829 6.6003 6.13923 6.44118 5.87491 numMergedOcc 0
11 mol 64 unq 1 iso 1 dist 7.24183 6.13923 6.44118 6.41829 6.6003 5.87491 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 9.27355 10.8067 9.68526 10.5627 7.26679 15.7123 numMergedOcc 0
13 mol 73 unq 0 iso 1 dist 9.27355 10.5627 7.26679 10.8067 9.68526 15.7123 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 9.27355 10.8067 9.68526 17.4113 9.30776 13.7412 numMergedOcc 0
15 mol 73 unq 1 iso 1 dist 9.27355 17.4113 9.30776 10.8067 9.68526 13.7412 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 9.27355 10.5627 7.26679 17.4113 9.30776 12.016 numMergedOcc 0
17 mol 73 unq 1 iso 1 dist 9.27355 17.4113 9.30776 10.5627 7.26679 12.016 numMergedOcc 0
18 mol 73 unq 2 iso 0 dist 8.60363 10.8067 9.72442 16.3515 9.02288 17.8791 numMergedOcc 0
19 mol 73 unq 2 iso 1 dist 8.60363 16.3515 9.02288 10.8067 9.72442 17.8791 numMergedOcc 0
20 mol 73 unq 3 iso 0 dist 9.27331 10.163 9.72442 12.3394 9.02288 17.8791 numMergedOcc 0
21 mol 73 unq 3 iso 1 dist 9.27331 12.3394 9.02288 10.163 9.72442 17.8791 numMergedOcc 0
22 mol 98 unq 0 iso 0 dist 9.35633 16.255 9.59261 9.75148 6.67936 10.6225 numMergedOcc 0
23 mol 98 unq 0 iso 1 dist 9.35633 9.75148 6.67936 16.255 9.59261 10.6225 numMergedOcc 0
24 mol 98 unq 1 iso 0 dist 9.35633 16.255 9.59261 15.2099 8.25817 12.7411 numMergedOcc 0
25 mol 98 unq 1 iso 1 dist 9.35633 15.2099 8.25817 16.255 9.59261 12.7411 numMergedOcc 0
26 mol 98 unq 1 iso 0 dist 9.35633 9.75148 6.67936 15.2099 8.25817 7.72877 numMergedOcc 0
27 mol 98 unq 1 iso 1 dist 9.35633 15.2099 8.25817 9.75148 6.67936 7.72877 numMergedOcc 0
28 mol 109 unq 0 iso 0 dist 8.59182 12.4009 8.21889 12.8701 9.74643 7 numMergedOcc 0
29 mol 109 unq 0 iso 1 dist 8.59182 12.8701 9.74643 12.4009 8.21889 7 numMergedOcc 0
30 mol 109 unq 1 iso 0 dist 8.59182 12.4009 8.21889 5.95831 6.86702 8.40993 numMergedOcc 0
31 mol 109 unq 1 iso 1 dist 8.59182 5.95831 6.86702 12.4009 8.21889 8.40993 numMergedOcc 0
32 mol 109 unq 1 iso 0 dist 8.59182 12.8701 9.74643 5.95831 6.86702 6.94915 numMergedOcc 0
33 mol 109 unq 1 iso 1 dist 8.59182 5.95831 6.86702 12.8701 9.74643 6.94915 numMergedOcc 0
34 mol 114 unq 0 iso 0 dist 5.31281 7.65733 7.25166 5.24877 8.42445 11.6284 numMergedOcc 0
35 mol 114 unq 0 iso 1 dist 5.31281 5.24877 8.42445 7.65733 7.25166 11.6284 numMergedOcc 0
36 mol 126 unq 0 iso 0 dist 7.25133 4.57807 7.11388 13.2652 8.83131 9.97817 numMergedOcc 0
37 mol 126 unq 0 iso 1 dist 7.25133 13.2652 8.83131 4.57807 7.11388 9.97817 numMergedOcc 0
38 mol 126 unq 1 iso 0 dist 9.33622 10.1683 7.11388 5.27125 8.83131 9.97817 numMergedOcc 0
39 mol 126 unq 1 iso 1 dist 9.33622 5.27125 8.83131 10.1683 7.11388 9.97817 numMergedOcc 0
40 mol 175 unq 0 iso 0 dist 6.03184 5.52686 9.57611 5.73338 5.08206 9.24932 numMergedOcc 0
41 mol 175 unq 0 iso 1 dist 6.03184 5.73338 5.08206 5.52686 9.57611 9.24932 numMergedOcc 0
42 mol 206 unq 0 iso 0 dist 7.65323 6.68626 9.99185 7.20088 8.31638 5.18293 numMergedOcc 0
43 mol 206 unq 0 iso 1 dist 7.65323 7.20088 8.31638 6.68626 9.99185 5.18293 numMergedOcc 0
44 mol 206 unq 1 iso 0 dist 8.63033 12.1408 9.72979 9.19627 6.97859 7.08143 numMergedOcc 0
45 mol 206 unq 1 iso 1 dist 8.63033 9.19627 6.97859 12.1408 9.72979 7.08143 numMergedOcc 0
46 mol 224 unq 0 iso 0 dist 7.62593 11.4653 9.33771 12.5358 7.39839 5.0744 numMergedOcc 0
47 mol 224 unq 0 iso 1 dist 7.62593 12.5358 7.39839 11.4653 9.33771 5.0744 numMergedOcc 0
48 mol 231 unq 0 iso 0 dist 7.28719 10.9863 7.79865 10.2117 6.14348 4.06055 numMergedOcc 0
49 mol 231 unq 0 iso 1 dist 7.28719 10.2117 6.14348 10.9863 7.79865 4.06055 numMergedOcc 0
50 mol 231 unq 1 iso 0 dist 6.60684 8.54452 7.79865 6.95128 6.14348 4.06055 numMergedOcc 0
51 mol 231 unq 1 iso 1 dist 6.60684 6.95128 6.14348 8.54452 7.79865 4.06055 numMergedOcc 0
52 mol 238 unq 0 iso 0 dist 5.57184 9.76195 6.83152 7.01206 5.24313 5.42006 numMergedOcc 0
53 mol 238 unq 0 iso 1 dist 5.57184 7.01206 5.24313 9.76195 6.83152 5.42006 numMergedOcc 0
54 mol 249 unq 0 iso 0 dist 6.18866 6.28944 5.78121 12.5843 7.29898 8.34718 numMergedOcc 0
55 mol 249 unq 0 iso 1 dist 6.18866 12.5843 7.29898 6.28944 5.78121 8.34718 numMergedOcc 0
56 mol 258 unq 0 iso 0 dist 8.57305 6.51074 5.81927 5.57797 6.09782 4.26007 numMergedOcc 0
57 mol 258 unq 0 iso 1 dist 8.57305 5.57797 6.09782 6.51074 5.81927 4.26007 numMergedOcc 0
58 mol 259 unq 0 iso 0 dist 8.73077 13.6207 6.77279 16.6797 9.58006 4.69778 numMergedOcc 0
59 mol 259 unq 0 iso 1 dist 8.73077 16.6797 9.58006 13.6207 6.77279 4.69778 numMergedOcc 0
60 mol 259 unq 1 iso 0 dist 6.76656 10.908 6.77279 12.7595 9.58006 4.69778 numMergedOcc 0
61 mol 259 unq 1 iso 1 dist 6.76656 12.7595 9.58006 10.908 6.77279 4.69778 numMergedOcc 0
62 mol 264 unq 0 iso 0 dist 7.61232 8.57403 9.01085 8.70128 6.28512 5.57311 numMergedOcc 0
63 mol 264 unq 0 iso 1 dist 7.61232 8.70128 6.28512 8.57403 9.01085 5.57311 numMergedOcc 0
64 mol 274 unq 0 iso 0 dist 9.07452 6.11218 7.80446 11.3921 9.86142 5.34251 numMergedOcc 0
65 mol 274 unq 0 iso 1 dist 9.07452 11.3921 9.86142 6.11218 7.80446 5.34251 numMergedOcc 0
66 mol 274 unq 1 iso 0 dist 6.12202 5.7574 7.79904 7.23876 9.02749 12.8986 numMergedOcc 0
67 mol 274 unq 1 iso 1 dist 6.12202 7.23876 9.02749 5.7574 7.79904 12.8986 numMergedOcc 0
68 mol 274 unq 2 iso 0 dist 6.44266 6.98398 7.80446 6.99898 9.86142 5.34251 numMergedOcc 0
69 mol 274 unq 2 iso 1 dist 6.44266 6.99898 9.86142 6.98398 7.80446 5.34251 numMergedOcc 0
70 mol 277 unq 0 iso 0 dist 6.23539 6.13402 8.57532 6.16829 9.02914 9.50605 numMergedOcc 0
71 mol 277 unq 0 iso 1 dist 6.23539 6.16829 9.02914 6.13402 8.57532 9.50605 numMergedOcc 0
72 mol 277 unq 1 iso 0 dist 6.23539 6.13402 8.57532 7.44724 6.90434 12.7728 numMergedOcc 0
73 mol 277 unq 1 iso 1 dist 6.23539 7.44724 6.90434 6.13402 8.57532 12.7728 numMergedOcc 0
74 mol 277 unq 1 iso 0 dist 6.23539 6.16829 9.02914 7.44724 6.90434 7.08227 numMergedOcc 0
75 mol 277 unq 1 iso 1 dist 6.23539 7.44724 6.90434 6.16829 9.02914 7.08227 numMergedOcc 0
