0 mol 9 unq 0 iso 0 dist 5.55437 8.076 7.28672 8.88528 10.7921 7.35972 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 5.55437 8.076 7.28672 14.0736 14.8012 9.93542 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 5.38458 6.32226 5.60208 4.58685 9.17615 7.35972 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 5.38458 6.32226 5.60208 5.83039 10.7794 9.93542 numMergedOcc 0
4 mol 10 unq 0 iso 0 dist 8.38836 5.40169 7.71365 9.61828 11.4156 5.59965 numMergedOcc 0
5 mol 10 unq 1 iso 0 dist 8.13471 8.00369 7.50126 7.99067 11.9937 5.59965 numMergedOcc 0
6 mol 11 unq 0 iso 0 dist 9.19218 8.7143 5.51131 7.51068 11.8375 7.5459 numMergedOcc 0
7 mol 19 unq 0 iso 0 dist 7.69625 6.39966 7.71716 13.9675 17.0794 9.95212 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 9.40479 4.90592 6.99746 10.0715 11.5841 6.72323 numMergedOcc 0
9 mol 24 unq 1 iso 0 dist 9.38831 9.69752 10.025 11.9395 11.5841 8.00171 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 9.38831 9.36461 6.99746 11.9395 11.5841 6.72323 numMergedOcc 0
11 mol 24 unq 3 iso 0 dist 9.58012 4.90592 11.8996 10.0715 18.2994 6.72323 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 8.48184 7.39179 13.3326 13.0644 17.6056 9.60622 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 8.48184 7.39179 13.3326 9.98219 12.8873 9.91054 numMergedOcc 0
14 mol 92 unq 2 iso 0 dist 7.39754 8.29345 5.8102 9.01596 10.9559 9.91054 numMergedOcc 0
15 mol 92 unq 3 iso 0 dist 9.01011 7.39179 9.01596 13.0644 11.6284 9.60622 numMergedOcc 0
16 mol 92 unq 4 iso 0 dist 9.01011 7.39179 9.01596 9.98219 8.29345 9.91054 numMergedOcc 0
17 mol 92 unq 5 iso 0 dist 9.01011 8.29345 9.98219 9.01596 7.39179 9.91054 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 7.63183 6.62972 9.50457 8.53212 15.0563 7.14031 numMergedOcc 0
19 mol 131 unq 0 iso 0 dist 7.76594 5.44303 5.67023 5.66194 5.39061 5.87084 numMergedOcc 0
20 mol 131 unq 1 iso 0 dist 7.76594 5.39061 5.66194 5.67023 5.44303 5.87084 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 8.93453 9.78667 9.21506 8.69924 10.6031 9.83945 numMergedOcc 0
22 mol 141 unq 1 iso 0 dist 8.93453 6.73983 4.38393 8.69924 10.6031 6.75376 numMergedOcc 0
23 mol 141 unq 2 iso 0 dist 8.93453 7.64956 6.06881 8.69924 10.6031 9.10042 numMergedOcc 0
24 mol 141 unq 3 iso 0 dist 8.93453 7.64956 6.06881 9.41497 13.4433 9.75059 numMergedOcc 0
25 mol 141 unq 4 iso 0 dist 8.93453 7.64956 6.06881 9.53115 12.3976 6.83404 numMergedOcc 0
26 mol 141 unq 5 iso 0 dist 8.26172 4.46777 6.52248 5.38571 11.5185 6.83404 numMergedOcc 0
27 mol 156 unq 0 iso 0 dist 5.90883 7.46845 11.3995 12.4049 13.0899 8.21184 numMergedOcc 0
28 mol 156 unq 1 iso 0 dist 5.90883 7.46845 11.3995 11.7015 14.9434 5.9976 numMergedOcc 0
29 mol 156 unq 2 iso 0 dist 8.06913 7.46845 11.6326 12.4049 10.6589 8.21184 numMergedOcc 0
30 mol 156 unq 3 iso 0 dist 8.06913 7.46845 11.6326 11.7015 13.5954 5.9976 numMergedOcc 0
31 mol 171 unq 0 iso 0 dist 7.82546 7.32555 6.29877 9.8515 10.352 7.22518 numMergedOcc 0
32 mol 171 unq 1 iso 0 dist 7.82546 7.32555 6.29877 9.54524 11.4752 5.25109 numMergedOcc 0
33 mol 171 unq 2 iso 0 dist 9.75627 8.1536 11.6944 9.18337 13.2038 5.25109 numMergedOcc 0
34 mol 171 unq 3 iso 0 dist 9.75627 8.1536 11.6944 8.83874 14.8717 8.21618 numMergedOcc 0
35 mol 186 unq 0 iso 0 dist 7.23293 5.45675 5.91678 5.81211 10.785 6.21159 numMergedOcc 0
36 mol 193 unq 0 iso 0 dist 5.44396 7.8141 6.03632 3.98356 8.67745 9.40801 numMergedOcc 0
37 mol 193 unq 1 iso 0 dist 5.44396 8.67745 3.98356 6.03632 7.8141 9.40801 numMergedOcc 0
38 mol 193 unq 2 iso 0 dist 6.22972 7.8141 7.58433 3.98356 9.41624 9.40801 numMergedOcc 0
39 mol 193 unq 3 iso 0 dist 6.22972 9.41624 3.98356 7.58433 7.8141 9.40801 numMergedOcc 0
40 mol 194 unq 0 iso 0 dist 5.52678 5.68348 8.43261 7.50057 12.6186 6.38324 numMergedOcc 0
41 mol 194 unq 1 iso 0 dist 5.52678 5.68348 8.43261 5.92931 6.37788 6.1886 numMergedOcc 0
42 mol 194 unq 2 iso 0 dist 5.52678 6.37788 5.92931 8.43261 5.68348 6.1886 numMergedOcc 0
43 mol 194 unq 3 iso 0 dist 9.81666 5.68348 13.8424 7.50057 15.8032 6.38324 numMergedOcc 0
44 mol 194 unq 4 iso 0 dist 9.81666 5.68348 13.8424 5.92931 8.7028 6.1886 numMergedOcc 0
45 mol 194 unq 5 iso 0 dist 9.81666 8.7028 5.92931 13.8424 5.68348 6.1886 numMergedOcc 0
46 mol 225 unq 0 iso 0 dist 6.53728 9.23935 14.3973 8.98957 13.131 8.37739 numMergedOcc 0
47 mol 225 unq 1 iso 0 dist 6.53728 7.77552 13.923 8.98957 13.131 9.47237 numMergedOcc 0
48 mol 237 unq 0 iso 0 dist 7.63812 5.6703 5.90415 6.26206 5.06628 8.10254 numMergedOcc 0
49 mol 237 unq 1 iso 0 dist 7.63812 5.06628 6.26206 5.90415 5.6703 8.10254 numMergedOcc 0
50 mol 237 unq 2 iso 0 dist 8.51129 5.06628 3.97854 5.90415 10.9011 8.10254 numMergedOcc 0
51 mol 237 unq 3 iso 0 dist 9.53139 9.54499 11.2776 9.25593 16.3123 8.10254 numMergedOcc 0
52 mol 260 unq 0 iso 0 dist 8.3149 7.99521 7.16782 5.52447 12.6052 9.32954 numMergedOcc 0
