0 mol 7 unq 0 iso 0 dist 6.28925 6.81066 9.23292 9.0379 7.5706 11.8206 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.28925 6.81066 9.23292 13.2247 8.70159 12.7325 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.07369 9.80484 14.4423 5.06358 6.79837 13.8353 numMergedOcc 0
3 mol 15 unq 0 iso 0 dist 8.63502 7.88714 7.8102 5.17568 7.876 11.371 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 7.56581 8.41018 8.91875 5.08001 9.22021 11.78 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.43377 5.62694 9.44809 14.9342 9.33919 17.3112 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.43377 5.62694 9.44809 13.3558 9.79143 15.7282 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 4.5985 7.69401 7.7565 10.8586 8.20656 15.2628 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 4.5985 6.92671 7.03319 10.8586 8.20656 13.3653 numMergedOcc 0
9 mol 100 unq 2 iso 0 dist 8.20656 7.98814 4.49046 10.8586 4.5985 9.06726 numMergedOcc 0
10 mol 110 unq 0 iso 0 dist 9.11812 9.22311 9.98692 5.00116 6.78225 11.7327 numMergedOcc 0
11 mol 110 unq 1 iso 0 dist 9.11812 9.22311 9.98692 8.3284 6.2967 11.8159 numMergedOcc 0
12 mol 127 unq 0 iso 0 dist 5.72373 8.82676 12.7297 5.55757 7.20988 11.6801 numMergedOcc 0
13 mol 127 unq 1 iso 0 dist 7.20988 7.46793 6.50375 5.55757 5.72373 9.6661 numMergedOcc 0
14 mol 178 unq 0 iso 0 dist 7.12045 6.55543 5.14478 5.18005 8.94945 10.2965 numMergedOcc 0
15 mol 206 unq 0 iso 0 dist 4.90825 4.98125 3.49996 7.73294 5.52084 8.91526 numMergedOcc 0
16 mol 206 unq 1 iso 0 dist 5.52084 9.73419 14.8651 7.73294 4.90825 17.2076 numMergedOcc 0
17 mol 206 unq 2 iso 0 dist 5.52084 9.99824 10.2897 7.73294 4.90825 14.2715 numMergedOcc 0
18 mol 219 unq 0 iso 0 dist 5.40597 7.68645 4.07063 7.02195 7.66784 5.75017 numMergedOcc 0
19 mol 219 unq 1 iso 0 dist 5.40597 7.68645 4.07063 13.4387 8.69579 6.12768 numMergedOcc 0
20 mol 219 unq 2 iso 0 dist 5.40597 7.68645 4.07063 10.8119 6.71733 7.19159 numMergedOcc 0
21 mol 219 unq 3 iso 0 dist 7.66784 5.75017 4.07063 7.02195 5.40597 7.68645 numMergedOcc 0
22 mol 219 unq 4 iso 0 dist 7.66784 5.75017 4.07063 10.7348 8.69579 6.12768 numMergedOcc 0
23 mol 219 unq 5 iso 0 dist 7.66784 5.75017 4.07063 10.6748 6.71733 7.19159 numMergedOcc 0
24 mol 219 unq 6 iso 0 dist 8.69579 6.12768 4.07063 13.4387 5.40597 7.68645 numMergedOcc 0
25 mol 219 unq 7 iso 0 dist 8.69579 6.12768 4.07063 10.7348 7.66784 5.75017 numMergedOcc 0
26 mol 219 unq 8 iso 0 dist 8.69579 6.12768 4.07063 6.74494 6.71733 7.19159 numMergedOcc 0
27 mol 219 unq 9 iso 0 dist 6.71733 7.19159 4.07063 10.8119 5.40597 7.68645 numMergedOcc 0
28 mol 219 unq 10 iso 0 dist 6.71733 7.19159 4.07063 10.6748 7.66784 5.75017 numMergedOcc 0
29 mol 219 unq 11 iso 0 dist 6.71733 7.19159 4.07063 6.74494 8.69579 6.12768 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 6.32856 8.98154 15.2936 9.15171 8.11169 16.0864 numMergedOcc 0
