0 mol 20 unq 0 iso 0 dist 8.45518 6.07025 4.90613 9.08652 7.89835 10.452 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 8.45518 6.07025 4.90613 12.575 9.94205 13.3417 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 8.45518 6.07025 4.90613 13.5049 9.08453 12.4239 numMergedOcc 0
3 mol 53 unq 0 iso 0 dist 6.22911 9.18121 7.57267 10.4416 6.6473 4.00059 numMergedOcc 0
4 mol 53 unq 1 iso 0 dist 6.76484 6.53895 7.57267 9.05584 6.6473 4.00059 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 9.24862 10.9926 7.52742 10.6271 6.24296 8.175 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 9.24862 10.9926 7.52742 13.7977 6.83218 9.3414 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 6.50917 15.0052 9.52936 5.12918 8.72835 17.5103 numMergedOcc 0
8 mol 91 unq 1 iso 0 dist 6.77052 7.15993 9.52936 12.0662 8.72835 17.5103 numMergedOcc 0
9 mol 91 unq 2 iso 0 dist 9.19143 11.9399 8.42914 5.92311 6.64714 8.88262 numMergedOcc 0
10 mol 91 unq 3 iso 0 dist 9.19143 14.4901 8.17327 5.92311 6.64714 11.1951 numMergedOcc 0
11 mol 91 unq 4 iso 0 dist 9.19143 15.0526 9.52936 5.92311 6.64714 10.5022 numMergedOcc 0
12 mol 91 unq 5 iso 0 dist 9.23907 15.5613 8.42914 10.4112 6.64714 8.88262 numMergedOcc 0
13 mol 91 unq 6 iso 0 dist 9.23907 16.4816 8.17327 10.4112 6.64714 11.1951 numMergedOcc 0
14 mol 91 unq 7 iso 0 dist 9.23907 18.1522 9.52936 10.4112 6.64714 10.5022 numMergedOcc 0
15 mol 93 unq 0 iso 0 dist 7.76517 8.66865 5.27541 16.5528 9.43355 8.99253 numMergedOcc 0
16 mol 93 unq 1 iso 0 dist 7.76517 8.66865 5.27541 11.6928 5.64141 3.78587 numMergedOcc 0
17 mol 93 unq 2 iso 0 dist 7.76517 8.66865 5.27541 8.79773 5.46186 10.5386 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 7.3098 6.99392 9.86236 9.06539 8.29463 10.4664 numMergedOcc 0
19 mol 100 unq 1 iso 0 dist 9.90038 10.5642 9.86236 14.1132 8.29463 10.4664 numMergedOcc 0
20 mol 140 unq 0 iso 0 dist 7.69641 5.91073 8.312 6.52033 9.62309 9.3466 numMergedOcc 0
21 mol 178 unq 0 iso 0 dist 5.79795 7.09944 7.55683 5.23156 5.4647 4.00111 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 8.46429 9.43017 6.23859 5.12552 7.81696 7.48305 numMergedOcc 0
23 mol 186 unq 1 iso 0 dist 8.3417 6.33629 6.23859 8.73003 7.81696 7.48305 numMergedOcc 0
24 mol 196 unq 0 iso 0 dist 9.29665 15.5255 9.67795 13.6582 4.48862 10.2981 numMergedOcc 0
25 mol 196 unq 1 iso 0 dist 7.21836 6.29554 9.67795 10.4797 4.48862 10.2981 numMergedOcc 0
26 mol 204 unq 0 iso 0 dist 6.8557 12.3225 9.06541 7.12863 9.04035 9.72425 numMergedOcc 0
27 mol 204 unq 1 iso 0 dist 6.13127 4.7869 9.06541 6.03168 9.04035 9.72425 numMergedOcc 0
28 mol 278 unq 0 iso 0 dist 6.25295 8.78056 6.08019 7.12222 9.90216 7.33993 numMergedOcc 0
29 mol 283 unq 0 iso 0 dist 9.24924 16.0925 9.74822 7.95433 8.106 9.46362 numMergedOcc 0
30 mol 283 unq 1 iso 0 dist 9.72248 15.535 9.74822 7.04425 8.106 9.46362 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 7.80478 11.5033 5.06731 5.96447 9.98518 11.2805 numMergedOcc 0
32 mol 287 unq 1 iso 0 dist 9.22409 6.81421 5.06731 16.1319 9.98518 11.2805 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 7.80478 11.5033 5.06731 5.96447 9.98518 11.2805 numMergedOcc 0
34 mol 288 unq 1 iso 0 dist 9.22409 6.81421 5.06731 16.1319 9.98518 11.2805 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 7.80478 11.5033 5.06731 5.96447 9.98518 11.2805 numMergedOcc 0
36 mol 289 unq 1 iso 0 dist 9.22409 6.81421 5.06731 16.1319 9.98518 11.2805 numMergedOcc 0
