0 mol 7 unq 0 iso 0 dist 5.99972 7.78327 3.54153 5.13353 9.68006 10.1124 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 5.89412 8.4014 5.69755 11.0528 7.07399 10.2811 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 6.41423 7.7312 5.31883 5.80928 6.41575 10.1278 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.70827 8.23075 12.2271 12.3067 9.12854 10.551 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.70827 4.7841 12.6431 12.3067 9.12854 14.1707 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 6.73939 8.23075 12.2839 11.4989 9.41441 16.3188 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 6.73939 4.7841 6.22954 11.4989 9.41441 12.0986 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 7.29868 7.49157 14.1137 15.5315 8.4051 22.0117 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 7.29868 7.49157 14.1137 10.0952 8.60554 14.9512 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 7.29868 7.73794 13.4584 15.5315 8.4051 21.4647 numMergedOcc 0
10 mol 24 unq 7 iso 0 dist 7.29868 7.73794 13.4584 10.0952 8.60554 12.1131 numMergedOcc 0
11 mol 25 unq 0 iso 0 dist 8.6653 7.03372 10.3493 10.6808 7.92503 13.2158 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 9.92355 9.23438 8.76454 5.30792 5.93884 9.9105 numMergedOcc 0
13 mol 58 unq 1 iso 0 dist 9.92355 9.23438 8.76454 5.35073 7.68678 7.17488 numMergedOcc 0
14 mol 58 unq 2 iso 0 dist 7.68678 7.17488 8.76454 5.35073 9.92355 9.23438 numMergedOcc 0
15 mol 58 unq 3 iso 0 dist 7.68678 7.17488 8.76454 4.81926 5.93884 9.9105 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 7.54568 8.04242 13.5973 10.1164 9.39864 17.4114 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 8.18107 5.42067 4.30488 5.04493 9.8859 7.36435 numMergedOcc 0
18 mol 92 unq 1 iso 0 dist 5.9465 5.42067 5.09449 5.04493 6.97962 7.36435 numMergedOcc 0
19 mol 92 unq 2 iso 0 dist 5.9465 5.42067 5.09449 9.35561 9.95342 12.6375 numMergedOcc 0
20 mol 92 unq 3 iso 0 dist 9.8859 7.36435 4.30488 5.04493 8.18107 5.42067 numMergedOcc 0
21 mol 92 unq 4 iso 0 dist 6.97962 7.36435 5.09449 5.04493 5.9465 5.42067 numMergedOcc 0
22 mol 92 unq 5 iso 0 dist 6.97962 7.36435 5.09449 12.7769 9.95342 12.6375 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 6.97707 4.76974 8.16155 10.5564 6.92026 13.9164 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 6.97707 4.76974 8.16155 5.67807 5.88249 9.28256 numMergedOcc 0
25 mol 115 unq 2 iso 0 dist 6.97707 8.0336 11.4853 10.5564 6.92026 17.4534 numMergedOcc 0
26 mol 115 unq 3 iso 0 dist 6.97707 8.0336 11.4853 5.67807 5.88249 12.9131 numMergedOcc 0
27 mol 130 unq 0 iso 0 dist 8.78276 8.81797 3.88766 4.5207 7.88805 9.81269 numMergedOcc 0
28 mol 130 unq 1 iso 0 dist 8.78276 8.81797 3.88766 8.38345 7.96646 5.92733 numMergedOcc 0
29 mol 130 unq 2 iso 0 dist 8.78276 8.81797 3.88766 10.5137 7.90048 10.8305 numMergedOcc 0
30 mol 130 unq 3 iso 0 dist 7.88805 9.81269 3.88766 4.5207 8.78276 8.81797 numMergedOcc 0
31 mol 130 unq 4 iso 0 dist 7.88805 9.81269 3.88766 10.0969 7.96646 5.92733 numMergedOcc 0
32 mol 130 unq 5 iso 0 dist 7.88805 9.81269 3.88766 7.01619 7.90048 10.8305 numMergedOcc 0
33 mol 130 unq 6 iso 0 dist 7.96646 5.92733 3.88766 8.38345 8.78276 8.81797 numMergedOcc 0
34 mol 130 unq 7 iso 0 dist 7.96646 5.92733 3.88766 10.0969 7.88805 9.81269 numMergedOcc 0
35 mol 130 unq 8 iso 0 dist 7.96646 5.92733 3.88766 10.7116 7.90048 10.8305 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 6.22122 9.70481 13.4378 6.01247 6.2479 11.8368 numMergedOcc 0
37 mol 181 unq 1 iso 0 dist 6.22122 9.70481 13.4378 12.6324 7.99195 15.9184 numMergedOcc 0
38 mol 186 unq 0 iso 0 dist 7.76163 6.93931 5.70845 14.5862 8.73217 14.4322 numMergedOcc 0
39 mol 195 unq 0 iso 0 dist 7.36683 6.59544 9.10355 10.7531 9.26504 16.1245 numMergedOcc 0
40 mol 206 unq 0 iso 0 dist 6.16414 4.51255 9.36584 5.63422 7.75885 6.23183 numMergedOcc 0
41 mol 206 unq 1 iso 0 dist 7.75885 6.23183 9.36584 5.63422 6.16414 4.51255 numMergedOcc 0
42 mol 213 unq 0 iso 0 dist 7.73322 8.82761 6.78109 5.45334 8.14332 4.66576 numMergedOcc 0
43 mol 213 unq 1 iso 0 dist 8.14332 9.09354 13.1121 5.45334 7.73322 10.5407 numMergedOcc 0
44 mol 213 unq 2 iso 0 dist 8.14332 4.66576 6.78109 5.45334 7.73322 8.82761 numMergedOcc 0
45 mol 235 unq 0 iso 0 dist 9.55668 8.08965 6.82702 9.89669 6.95126 12.2745 numMergedOcc 0
46 mol 237 unq 0 iso 0 dist 6.99315 9.14911 5.74428 14.5975 9.60163 11.0948 numMergedOcc 0
47 mol 238 unq 0 iso 0 dist 8.94014 8.94231 13.4894 5.6348 7.02333 8.88652 numMergedOcc 0
48 mol 238 unq 1 iso 0 dist 8.94014 8.94231 13.4894 8.87326 8.67864 6.46771 numMergedOcc 0
49 mol 238 unq 2 iso 0 dist 7.02333 8.88652 13.4894 5.6348 8.94014 8.94231 numMergedOcc 0
50 mol 238 unq 3 iso 0 dist 7.02333 8.88652 13.4894 5.31152 8.67864 6.46771 numMergedOcc 0
51 mol 238 unq 4 iso 0 dist 8.67864 6.46771 13.4894 8.87326 8.94014 8.94231 numMergedOcc 0
52 mol 238 unq 5 iso 0 dist 8.67864 6.46771 13.4894 5.31152 7.02333 8.88652 numMergedOcc 0
53 mol 278 unq 0 iso 0 dist 6.62841 5.35705 10.5492 8.29447 8.00673 13.0065 numMergedOcc 0
54 mol 287 unq 0 iso 0 dist 8.91712 9.18744 3.96271 10.9208 9.65934 13.0643 numMergedOcc 0
55 mol 287 unq 1 iso 0 dist 9.65934 5.30118 5.39801 10.9208 8.91712 10.1296 numMergedOcc 0
56 mol 288 unq 0 iso 0 dist 8.91712 9.18744 3.96271 10.9208 9.65934 13.0643 numMergedOcc 0
57 mol 288 unq 1 iso 0 dist 9.65934 5.30118 5.39801 10.9208 8.91712 10.1296 numMergedOcc 0
58 mol 289 unq 0 iso 0 dist 8.91712 9.18744 3.96271 10.9208 9.65934 13.0643 numMergedOcc 0
59 mol 289 unq 1 iso 0 dist 9.65934 5.30118 5.39801 10.9208 8.91712 10.1296 numMergedOcc 0
