0 mol 28 unq 0 iso 0 dist 8.24316 6.75443 6.94749 8.85208 15.9562 13.1749 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.24316 6.75443 6.94749 9.04974 6.92962 9.39491 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.24316 9.02508 7.04268 8.85208 15.9562 17.8219 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 8.24316 9.02508 7.04268 9.04974 6.92962 13.3085 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 8.24316 8.44081 6.5776 8.85208 15.9562 15.7682 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 8.24316 8.44081 6.5776 9.04974 6.92962 9.64016 numMergedOcc 0
6 mol 55 unq 0 iso 0 dist 8.49449 9.49156 12.494 9.46633 7.13948 15.6461 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 7.3729 7.4348 9.81267 9.907 7.75992 10.1932 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 9.26301 5.09285 7.22809 8.14574 5.50163 8.76178 numMergedOcc 0
9 mol 132 unq 0 iso 0 dist 8.97036 6.13054 11.9058 6.71787 8.41467 4.88005 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 8.70916 8.51581 8.86818 9.9429 5.20083 5.60247 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 7.17789 6.03801 9.36417 8.39237 3.82682 8.24186 numMergedOcc 0
12 mol 228 unq 0 iso 0 dist 8.53297 9.82472 11.0444 9.75578 7.4344 9.46822 numMergedOcc 0
13 mol 228 unq 1 iso 0 dist 8.53297 9.82472 11.0444 8.52422 5.09715 10.8195 numMergedOcc 0
14 mol 228 unq 2 iso 0 dist 9.23333 9.94292 6.25558 8.26664 5.09715 9.40554 numMergedOcc 0
15 mol 228 unq 3 iso 0 dist 9.23333 9.53671 13.9405 8.26664 5.09715 10.3434 numMergedOcc 0
16 mol 228 unq 4 iso 0 dist 7.24491 8.5499 6.25558 9.33596 5.09715 9.40554 numMergedOcc 0
17 mol 228 unq 5 iso 0 dist 6.02491 9.79674 6.25558 8.73196 7.4344 10.6813 numMergedOcc 0
18 mol 228 unq 6 iso 0 dist 6.02491 9.79674 6.25558 9.68484 5.09715 9.40554 numMergedOcc 0
19 mol 228 unq 7 iso 0 dist 9.21065 9.87391 14.1268 8.27678 5.35058 10.3267 numMergedOcc 0
20 mol 228 unq 8 iso 0 dist 9.21065 9.72673 6.31197 8.27678 5.35058 9.46822 numMergedOcc 0
21 mol 228 unq 9 iso 0 dist 5.89577 9.82472 6.31197 9.75578 5.35058 9.46822 numMergedOcc 0
22 mol 228 unq 10 iso 0 dist 5.89577 9.82472 6.31197 8.52422 7.20896 10.8195 numMergedOcc 0
23 mol 228 unq 11 iso 0 dist 8.6694 9.79674 10.9081 8.73196 5.35058 10.6813 numMergedOcc 0
24 mol 228 unq 12 iso 0 dist 8.6694 9.79674 10.9081 9.68484 7.20896 9.40554 numMergedOcc 0
25 mol 233 unq 0 iso 0 dist 9.06221 7.67027 10.3691 5.9677 5.91692 8.47654 numMergedOcc 0
26 mol 271 unq 0 iso 0 dist 7.90629 7.88092 7.94329 8.56431 6.59541 10.0049 numMergedOcc 0
27 mol 275 unq 0 iso 0 dist 8.55256 9.80175 7.36174 9.88669 5.08581 7.67399 numMergedOcc 0
