0 mol 9 unq 0 iso 0 dist 9.8978 11.3797 9.62394 10.4202 7.35972 16.147 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.8978 11.3797 9.62394 15.4091 9.93542 19.4709 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 6.26276 11.7623 9.62394 6.29049 7.35972 16.147 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 6.26276 11.7623 9.62394 10.6101 9.93542 19.4709 numMergedOcc 0
4 mol 11 unq 0 iso 0 dist 9.52695 5.8961 5.96346 9.36527 7.98326 10.7734 numMergedOcc 0
5 mol 11 unq 1 iso 0 dist 9.52695 5.8961 5.96346 10.1362 7.46578 9.62262 numMergedOcc 0
6 mol 11 unq 2 iso 0 dist 9.78754 5.71129 6.35398 9.66474 7.98326 10.9183 numMergedOcc 0
7 mol 11 unq 3 iso 0 dist 9.78754 5.71129 6.35398 10.3999 7.90478 9.99434 numMergedOcc 0
8 mol 15 unq 0 iso 0 dist 5.19544 5.69927 5.89412 8.80394 6.03257 9.75966 numMergedOcc 0
9 mol 15 unq 1 iso 0 dist 5.19544 7.63656 7.07399 8.80394 6.03257 4.39605 numMergedOcc 0
10 mol 26 unq 0 iso 0 dist 9.27369 10.2609 6.46104 12.8556 6.93197 7.23703 numMergedOcc 0
11 mol 26 unq 1 iso 0 dist 9.27369 8.18809 7.36856 12.8556 6.93197 5.81765 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 4.38047 6.76462 6.14538 10.5895 9.17082 4.24786 numMergedOcc 0
13 mol 91 unq 0 iso 0 dist 5.51406 10.2967 9.30539 10.4949 8.66165 4.57085 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 7.7913 4.73713 5.9465 11.9687 6.77241 8.70803 numMergedOcc 0
15 mol 92 unq 1 iso 0 dist 7.7913 4.73713 5.9465 12.841 5.50508 9.52327 numMergedOcc 0
16 mol 92 unq 2 iso 0 dist 7.7913 4.36394 6.97962 11.9687 6.77241 8.87994 numMergedOcc 0
17 mol 92 unq 3 iso 0 dist 7.7913 4.36394 6.97962 12.841 5.50508 11.641 numMergedOcc 0
18 mol 92 unq 4 iso 0 dist 7.7913 14.0487 9.95342 11.9687 6.77241 7.52639 numMergedOcc 0
19 mol 92 unq 5 iso 0 dist 7.7913 14.0487 9.95342 12.841 5.50508 7.34683 numMergedOcc 0
20 mol 98 unq 0 iso 0 dist 5.94696 12.4265 6.7117 9.51607 7.36769 7.94178 numMergedOcc 0
21 mol 98 unq 1 iso 0 dist 5.94696 12.4265 6.7117 12.5752 6.88901 4.4057 numMergedOcc 0
22 mol 98 unq 2 iso 0 dist 5.94696 7.1452 4.47349 9.51607 7.36769 9.85543 numMergedOcc 0
23 mol 98 unq 3 iso 0 dist 5.94696 7.1452 4.47349 12.5752 6.88901 9.67482 numMergedOcc 0
24 mol 98 unq 4 iso 0 dist 5.94696 4.96747 5.65185 9.51607 7.36769 7.28361 numMergedOcc 0
25 mol 98 unq 5 iso 0 dist 5.94696 4.96747 5.65185 12.5752 6.88901 12.0974 numMergedOcc 0
26 mol 113 unq 0 iso 0 dist 9.66068 16.3524 8.8822 14.6132 6.6317 7.27193 numMergedOcc 0
27 mol 119 unq 0 iso 0 dist 8.75431 10.7421 8.99399 4.09788 7.20249 7.45148 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 9.04845 14.5617 6.16242 6.26174 8.95662 12.131 numMergedOcc 0
29 mol 133 unq 1 iso 0 dist 9.04845 13.7612 5.87634 6.26174 8.95662 14.8102 numMergedOcc 0
30 mol 133 unq 2 iso 0 dist 7.94325 11.4104 6.16242 5.53181 8.95662 12.131 numMergedOcc 0
31 mol 133 unq 3 iso 0 dist 7.94325 12.9605 5.87634 5.53181 8.95662 14.8102 numMergedOcc 0
32 mol 133 unq 4 iso 0 dist 6.72323 10.2385 6.16242 14.5316 8.95662 12.131 numMergedOcc 0
33 mol 133 unq 5 iso 0 dist 6.72323 4.64588 5.87634 14.5316 8.95662 14.8102 numMergedOcc 0
34 mol 171 unq 0 iso 0 dist 6.21194 9.22906 9.61462 4.47323 5.25109 11.5561 numMergedOcc 0
35 mol 171 unq 1 iso 0 dist 6.21194 9.22906 9.61462 4.73373 8.21618 10.844 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 6.95568 4.11061 6.59025 10.453 8.86197 7.81713 numMergedOcc 0
37 mol 181 unq 1 iso 0 dist 6.95568 4.11061 6.59025 3.97538 5.94379 7.16549 numMergedOcc 0
38 mol 181 unq 2 iso 0 dist 9.07527 9.32503 5.9176 10.0344 7.22883 6.29863 numMergedOcc 0
39 mol 184 unq 0 iso 0 dist 8.95598 4.41193 6.42735 12.4352 7.54099 8.08596 numMergedOcc 0
40 mol 226 unq 0 iso 0 dist 7.04477 10.0275 8.80683 11.378 5.70795 7.92585 numMergedOcc 0
41 mol 226 unq 1 iso 0 dist 7.04477 5.47434 6.11704 11.378 5.70795 7.554 numMergedOcc 0
42 mol 232 unq 0 iso 0 dist 7.83422 9.60401 9.05071 6.36084 9.8664 4.9377 numMergedOcc 0
43 mol 237 unq 0 iso 0 dist 8.42502 10.0582 9.20822 3.96327 8.10254 10.6582 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 7.26887 4.39639 8.94014 6.5335 5.92374 5.50308 numMergedOcc 0
45 mol 238 unq 1 iso 0 dist 7.26887 6.57364 7.02333 6.5335 5.92374 7.11984 numMergedOcc 0
46 mol 238 unq 2 iso 0 dist 7.26887 10.9854 8.67864 6.5335 5.92374 7.95232 numMergedOcc 0
47 mol 244 unq 0 iso 0 dist 8.08939 11.6777 5.50492 8.89726 7.95359 7.6169 numMergedOcc 0
48 mol 244 unq 1 iso 0 dist 8.08939 11.6777 5.50492 10.6799 6.22122 5.17744 numMergedOcc 0
49 mol 244 unq 2 iso 0 dist 7.33574 7.45211 5.50492 4.55034 7.95359 7.6169 numMergedOcc 0
50 mol 244 unq 3 iso 0 dist 7.33574 7.45211 5.50492 8.05133 6.22122 5.17744 numMergedOcc 0
51 mol 249 unq 0 iso 0 dist 6.58109 9.9244 5.48118 6.02223 5.9627 9.0676 numMergedOcc 0
52 mol 249 unq 1 iso 0 dist 6.58109 9.9973 7.25858 6.02223 5.9627 6.56117 numMergedOcc 0
53 mol 273 unq 0 iso 0 dist 6.38341 5.75973 8.83865 7.55971 7.16346 12.0136 numMergedOcc 0
54 mol 273 unq 1 iso 0 dist 6.38341 9.40198 9.18157 7.55971 7.16346 12.1851 numMergedOcc 0
55 mol 274 unq 0 iso 0 dist 9.11072 9.85454 9.85289 5.15747 6.88827 5.29529 numMergedOcc 0
56 mol 274 unq 1 iso 0 dist 9.02071 5.9882 9.85289 4.36131 6.88827 5.29529 numMergedOcc 0
57 mol 287 unq 0 iso 0 dist 8.42076 8.60619 6.89451 5.89772 6.95912 7.83813 numMergedOcc 0
58 mol 288 unq 0 iso 0 dist 8.42076 8.60619 6.89451 5.89772 6.95912 7.83813 numMergedOcc 0
59 mol 289 unq 0 iso 0 dist 8.42076 8.60619 6.89451 5.89772 6.95912 7.83813 numMergedOcc 0
