0 mol 16 unq 0 iso 0 dist 8.17898 5.36911 5.30082 12.0005 7.03948 11.7521 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 5.36645 6.42242 8.82805 4.16088 8.09058 9.56852 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 5.54343 9.23947 6.21578 5.68492 8.68586 9.32552 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 5.79954 6.66506 5.11416 13.1044 8.70133 7.10439 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 5.49623 9.22889 6.54837 6.26867 7.87814 5.9249 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 9.22376 9.04728 4.65335 13.0379 7.22293 11.8261 numMergedOcc 0
6 mol 87 unq 0 iso 0 dist 6.8014 8.59105 5.95671 5.5768 7.51358 7.2268 numMergedOcc 0
7 mol 87 unq 1 iso 0 dist 6.8014 8.59105 5.95671 4.56692 8.93296 8.31175 numMergedOcc 0
8 mol 88 unq 0 iso 0 dist 7.76275 7.01545 7.0785 8.71166 9.2603 13.5995 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 6.30103 7.31426 8.51055 9.81259 7.06013 7.1539 numMergedOcc 0
10 mol 124 unq 0 iso 0 dist 7.23052 9.18949 14.8831 10.5562 6.83051 19.2867 numMergedOcc 0
11 mol 124 unq 1 iso 0 dist 7.23052 9.18949 14.8831 12.5603 9.28376 21.7393 numMergedOcc 0
12 mol 140 unq 0 iso 0 dist 9.41832 6.58859 11.9251 6.92517 6.95323 12.6595 numMergedOcc 0
13 mol 140 unq 1 iso 0 dist 5.44596 6.58859 8.5945 6.92517 7.27371 12.6595 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 8.66709 9.83653 6.3363 7.00069 7.39644 12.5009 numMergedOcc 0
15 mol 155 unq 1 iso 0 dist 8.66709 9.83653 6.3363 14.2312 7.70572 13.401 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 6.6776 8.79832 8.29015 10.2578 9.8589 5.4997 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 7.7292 8.82861 5.86489 11.695 5.90931 11.641 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 8.9077 7.46122 7.11498 10.4277 6.84247 9.7334 numMergedOcc 0
19 mol 220 unq 1 iso 0 dist 8.9077 7.46122 7.11498 12.6281 6.99002 13.5801 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 6.095 9.62583 6.00069 5.17887 5.86443 11.2383 numMergedOcc 0
21 mol 227 unq 1 iso 0 dist 6.095 9.62583 6.00069 5.52229 7.22914 9.52615 numMergedOcc 0
22 mol 250 unq 0 iso 0 dist 8.21206 8.85979 4.34713 11.1994 8.80086 12.6079 numMergedOcc 0
23 mol 253 unq 0 iso 0 dist 8.53729 9.29788 5.78064 15.6651 7.19465 9.58354 numMergedOcc 0
24 mol 253 unq 1 iso 0 dist 8.07341 9.50983 5.78064 14.0411 7.19465 9.58354 numMergedOcc 0
25 mol 256 unq 0 iso 0 dist 7.54586 9.65136 10.134 5.34142 8.09363 7.48269 numMergedOcc 0
26 mol 256 unq 1 iso 0 dist 8.43264 7.54955 5.28793 8.04009 5.24676 7.48269 numMergedOcc 0
27 mol 284 unq 0 iso 0 dist 6.86342 6.76508 5.69992 5.13259 7.52785 10.359 numMergedOcc 0
28 mol 284 unq 1 iso 0 dist 8.08993 4.87349 10.6664 9.65436 8.41504 13.8882 numMergedOcc 0
29 mol 284 unq 2 iso 0 dist 7.34344 4.87349 4.50325 5.83318 4.86729 6.61376 numMergedOcc 0
