0 mol 28 unq 0 iso 0 dist 5.98169 7.09127 4.49593 13.5108 9.28621 7.17655 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 5.98169 7.09127 4.49593 5.51879 8.94643 6.87634 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 5.98169 7.09127 4.49593 11.3454 8.36195 5.80563 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 7.52145 13.11 9.2795 5.64731 7.72377 9.10308 numMergedOcc 0
4 mol 32 unq 1 iso 0 dist 8.35776 8.41022 9.2795 12.3204 7.72377 9.10308 numMergedOcc 0
5 mol 42 unq 0 iso 0 dist 7.73997 7.17806 8.03678 5.6382 9.39402 12.4373 numMergedOcc 0
6 mol 42 unq 1 iso 0 dist 7.73997 7.2023 8.7885 5.6382 9.39402 10.9827 numMergedOcc 0
7 mol 62 unq 0 iso 0 dist 5.23167 7.90724 6.42645 4.29159 7.01397 9.56193 numMergedOcc 0
8 mol 62 unq 1 iso 0 dist 7.47607 5.4222 6.42645 7.59441 7.01397 9.56193 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 5.24882 6.47184 8.72521 5.57673 6.38786 11.2808 numMergedOcc 0
10 mol 169 unq 0 iso 0 dist 6.18165 5.36769 8.80004 12.2667 6.27378 14.3186 numMergedOcc 0
11 mol 176 unq 0 iso 0 dist 6.32254 6.30772 6.95058 13.0176 9.60931 7.65279 numMergedOcc 0
12 mol 176 unq 1 iso 0 dist 8.89556 7.83546 6.95058 14.8578 9.60931 7.65279 numMergedOcc 0
13 mol 176 unq 2 iso 0 dist 9.5668 3.93619 7.02812 6.36558 9.40138 5.80843 numMergedOcc 0
14 mol 198 unq 0 iso 0 dist 9.55667 9.58359 9.50184 7.58767 7.95437 4.61344 numMergedOcc 0
15 mol 198 unq 1 iso 0 dist 9.55667 14.6768 6.49746 7.58767 7.95437 9.72265 numMergedOcc 0
16 mol 198 unq 2 iso 0 dist 9.55667 11.2972 9.70373 7.58767 7.95437 11.6974 numMergedOcc 0
17 mol 198 unq 3 iso 0 dist 9.55667 4.49002 9.76877 7.58767 7.95437 7.33161 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 7.36685 12.1805 9.02396 8.13583 6.39822 10.9946 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 7.36685 12.1805 9.02396 4.80695 8.61077 13.3166 numMergedOcc 0
20 mol 266 unq 2 iso 0 dist 9.20906 6.70951 7.48115 10.2082 5.36518 10.9946 numMergedOcc 0
21 mol 266 unq 3 iso 0 dist 9.20906 6.70951 7.48115 13.6949 9.11585 13.3166 numMergedOcc 0
22 mol 266 unq 4 iso 0 dist 9.03099 12.1805 7.48115 8.13583 5.36518 10.9946 numMergedOcc 0
23 mol 266 unq 5 iso 0 dist 9.03099 12.1805 7.48115 4.80695 9.11585 13.3166 numMergedOcc 0
24 mol 269 unq 0 iso 0 dist 6.8127 7.26564 6.53779 13.6116 9.20068 11.6414 numMergedOcc 0
25 mol 269 unq 1 iso 0 dist 6.8127 7.59836 6.02501 13.6116 9.20068 7.49114 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 7.34927 13.0309 9.00122 4.00063 9.07744 16.2697 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 7.34927 13.0309 9.00122 13.5537 8.42892 16.1486 numMergedOcc 0
28 mol 277 unq 2 iso 0 dist 7.34927 13.0309 9.00122 12.5125 8.90967 4.21815 numMergedOcc 0
29 mol 277 unq 3 iso 0 dist 7.54315 15.9806 9.00122 9.31316 9.07744 16.2697 numMergedOcc 0
30 mol 277 unq 4 iso 0 dist 7.54315 15.9806 9.00122 4.15308 8.42892 16.1486 numMergedOcc 0
31 mol 277 unq 5 iso 0 dist 7.54315 15.9806 9.00122 14.7276 8.90967 4.21815 numMergedOcc 0
32 mol 277 unq 6 iso 0 dist 7.88615 4.4071 6.47907 5.27072 6.40861 4.21815 numMergedOcc 0
