0 mol 1 unq 0 iso 0 dist 8.83387 4.49401 8.15672 7.58747 9.21329 4.79345 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 8.83387 4.49401 8.15672 6.38325 8.54277 3.84685 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 9.85305 5.72763 8.15672 10.2917 9.21329 4.79345 numMergedOcc 0
3 mol 1 unq 3 iso 0 dist 9.85305 5.72763 8.15672 4.69498 8.54277 3.84685 numMergedOcc 0
4 mol 11 unq 0 iso 0 dist 9.76233 4.54527 9.07476 9.12768 5.47299 9.89387 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 8.1717 5.56678 6.35779 10.5572 8.96898 5.02909 numMergedOcc 0
6 mol 62 unq 1 iso 0 dist 5.23167 8.02816 7.25138 4.29159 7.01397 11.1544 numMergedOcc 0
7 mol 62 unq 2 iso 0 dist 7.47607 5.07643 7.25138 7.59441 7.01397 11.1544 numMergedOcc 0
8 mol 67 unq 0 iso 0 dist 9.88566 8.54414 8.4702 4.85065 9.10001 5.66613 numMergedOcc 0
9 mol 81 unq 0 iso 0 dist 7.94697 11.2863 9.53663 4.76773 8.57764 8.00722 numMergedOcc 0
10 mol 169 unq 0 iso 0 dist 6.18165 9.58263 7.78577 12.2667 6.27378 11.8115 numMergedOcc 0
11 mol 176 unq 0 iso 0 dist 9.5668 15.9203 8.51811 6.36558 9.40138 14.7871 numMergedOcc 0
12 mol 180 unq 0 iso 0 dist 9.84484 10.4843 6.91244 7.94551 9.48707 8.4055 numMergedOcc 0
13 mol 185 unq 0 iso 0 dist 9.62449 12.1385 8.07469 9.44002 9.44685 4.63469 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 9.76929 3.39532 8.53092 6.65459 4.44509 4.95839 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 8.95095 12.7366 9.60767 12.1402 6.90511 7.45428 numMergedOcc 0
16 mol 269 unq 0 iso 0 dist 6.8127 10.7788 6.72096 13.6116 9.20068 10.1928 numMergedOcc 0
17 mol 269 unq 1 iso 0 dist 6.8127 5.39605 9.18157 13.6116 9.20068 16.128 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 7.34927 9.49228 8.72101 4.00063 9.07744 13.3688 numMergedOcc 0
19 mol 277 unq 1 iso 0 dist 7.34927 9.49228 8.72101 13.5537 8.42892 16.9673 numMergedOcc 0
20 mol 277 unq 2 iso 0 dist 7.34927 9.49228 8.72101 12.5125 8.90967 8.45252 numMergedOcc 0
21 mol 277 unq 3 iso 0 dist 7.34927 11.7966 5.11998 4.00063 9.07744 12.5633 numMergedOcc 0
22 mol 277 unq 4 iso 0 dist 7.34927 11.7966 5.11998 13.5537 8.42892 5.10572 numMergedOcc 0
23 mol 277 unq 5 iso 0 dist 7.34927 11.7966 5.11998 12.5125 8.90967 12.1971 numMergedOcc 0
24 mol 277 unq 6 iso 0 dist 7.54315 16.1206 8.72101 9.31316 9.07744 13.3688 numMergedOcc 0
25 mol 277 unq 7 iso 0 dist 7.54315 16.1206 8.72101 4.15308 8.42892 16.9673 numMergedOcc 0
26 mol 277 unq 8 iso 0 dist 7.54315 16.1206 8.72101 14.7276 8.90967 8.45252 numMergedOcc 0
27 mol 277 unq 9 iso 0 dist 7.54315 7.00586 5.11998 9.31316 9.07744 12.5633 numMergedOcc 0
28 mol 277 unq 10 iso 0 dist 7.54315 7.00586 5.11998 4.15308 8.42892 5.10572 numMergedOcc 0
29 mol 277 unq 11 iso 0 dist 7.54315 7.00586 5.11998 14.7276 8.90967 12.1971 numMergedOcc 0
30 mol 277 unq 12 iso 0 dist 7.88615 10.5169 8.75619 5.27072 6.40861 8.45252 numMergedOcc 0
31 mol 277 unq 13 iso 0 dist 7.88615 12.8601 5.79925 5.27072 6.40861 12.1971 numMergedOcc 0
32 mol 277 unq 14 iso 0 dist 7.88615 8.85294 8.55906 5.27072 6.40861 8.18751 numMergedOcc 0
33 mol 277 unq 15 iso 0 dist 7.88615 4.2416 5.55523 5.27072 6.40861 6.94318 numMergedOcc 0
34 mol 281 unq 0 iso 0 dist 8.78416 6.85714 6.82918 13.3861 9.39268 14.9508 numMergedOcc 0
35 mol 281 unq 1 iso 0 dist 8.78416 6.85714 6.82918 8.97987 9.06888 4.19307 numMergedOcc 0
36 mol 281 unq 2 iso 0 dist 9.22428 16.6962 9.13909 8.97987 6.62682 8.64726 numMergedOcc 0
37 mol 281 unq 3 iso 0 dist 9.22428 6.85714 4.29351 8.97987 6.62682 4.19307 numMergedOcc 0
38 mol 281 unq 4 iso 0 dist 7.82358 12.3603 6.82918 3.90611 9.39268 14.9508 numMergedOcc 0
39 mol 281 unq 5 iso 0 dist 7.82358 12.3603 6.82918 13.4167 9.06888 4.19307 numMergedOcc 0
40 mol 281 unq 6 iso 0 dist 7.95687 9.0331 9.13909 5.33399 6.62682 8.64726 numMergedOcc 0
41 mol 281 unq 7 iso 0 dist 7.95687 5.28494 4.29351 5.33399 6.62682 4.19307 numMergedOcc 0
