0 mol 53 unq 0 iso 0 dist 9.23241 6.76039 8.83047 5.78143 4.75776 8.60221 numMergedOcc 0
1 mol 53 unq 1 iso 0 dist 9.23241 14.2926 6.95013 5.78143 4.75776 9.61297 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 8.37544 6.56327 7.43154 10.9801 6.13181 8.45629 numMergedOcc 0
3 mol 55 unq 1 iso 0 dist 4.92955 6.40817 7.43154 5.85716 6.13181 8.45629 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.53468 9.70734 8.91206 12.2874 8.58543 16.3838 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 6.53468 5.41551 8.67513 12.2874 8.58543 10.3777 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 8.78859 5.41551 9.12738 12.2874 8.99433 10.3777 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 5.90954 9.93198 8.91206 7.81776 8.58543 16.3838 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 5.90954 5.54987 8.67513 7.81776 8.58543 10.3777 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 7.49224 12.1962 7.73993 8.81106 5.46988 4.36531 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 7.49224 12.1962 7.73993 11.6623 9.92553 5.02505 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 7.98999 14.3349 7.35503 13.0525 9.74569 6.80122 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 7.98999 15.4161 8.79543 13.0525 9.74569 7.8709 numMergedOcc 0
13 mol 112 unq 2 iso 0 dist 7.98999 9.87475 6.48223 13.0525 9.74569 11.9632 numMergedOcc 0
14 mol 120 unq 0 iso 0 dist 9.07172 9.31366 8.40669 8.25036 7.63127 10.5555 numMergedOcc 0
15 mol 154 unq 0 iso 0 dist 9.2042 7.10961 6.31314 15.6002 9.14458 11.8677 numMergedOcc 0
16 mol 163 unq 0 iso 0 dist 8.12896 5.02465 6.96572 12.3276 8.23605 12.2679 numMergedOcc 0
17 mol 163 unq 1 iso 0 dist 8.88092 11.6445 6.96572 5.83597 8.23605 12.2679 numMergedOcc 0
18 mol 163 unq 2 iso 0 dist 9.3832 17.2409 9.29539 16.5085 7.3546 4.2381 numMergedOcc 0
19 mol 163 unq 3 iso 0 dist 9.3832 14.7097 9.02124 16.5085 7.3546 11.7732 numMergedOcc 0
20 mol 163 unq 4 iso 0 dist 6.0247 8.52732 9.29539 6.56076 7.3546 4.2381 numMergedOcc 0
21 mol 163 unq 5 iso 0 dist 6.0247 12.8414 9.02124 6.56076 7.3546 11.7732 numMergedOcc 0
22 mol 163 unq 6 iso 0 dist 6.40873 10.0505 9.29539 9.55758 7.3546 4.2381 numMergedOcc 0
23 mol 163 unq 7 iso 0 dist 6.40873 14.9092 9.02124 9.55758 7.3546 11.7732 numMergedOcc 0
24 mol 171 unq 0 iso 0 dist 7.68295 5.24208 6.81707 14.0377 9.75627 15.0267 numMergedOcc 0
25 mol 194 unq 0 iso 0 dist 7.47107 14.7761 8.63008 11.4288 5.52678 10.3444 numMergedOcc 0
26 mol 194 unq 1 iso 0 dist 7.47107 14.7761 8.63008 15.4624 9.81666 14.1482 numMergedOcc 0
27 mol 218 unq 0 iso 0 dist 5.72444 5.7173 8.23919 5.77167 8.93185 9.05333 numMergedOcc 0
28 mol 218 unq 1 iso 0 dist 5.72444 5.7173 8.23919 7.54799 8.22792 6.45289 numMergedOcc 0
29 mol 227 unq 0 iso 0 dist 8.12518 5.22879 9.33735 9.41039 9.56257 10.8608 numMergedOcc 0
30 mol 237 unq 0 iso 0 dist 9.74081 13.9685 7.68769 12.7987 9.84466 16.3643 numMergedOcc 0
31 mol 237 unq 1 iso 0 dist 9.74081 13.9685 7.68769 5.78318 6.16557 12.532 numMergedOcc 0
32 mol 237 unq 2 iso 0 dist 9.74081 13.9685 7.68769 10.217 5.4813 7.41102 numMergedOcc 0
33 mol 251 unq 0 iso 0 dist 8.38382 6.58237 5.0953 5.12873 8.53757 3.92576 numMergedOcc 0
34 mol 294 unq 0 iso 0 dist 9.2542 9.02274 9.21767 12.0758 7.41079 5.62181 numMergedOcc 0
35 mol 294 unq 1 iso 0 dist 9.2542 5.83603 6.16375 12.0758 7.41079 10.0223 numMergedOcc 0
