0 mol 48 unq 0 iso 0 dist 6.04551 6.78264 5.90067 7.44442 4.96308 6.15466 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 6.04551 8.45484 13.4777 7.44442 4.96308 11.8658 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 8.36915 8.80334 10.7888 7.31914 5.09588 11.762 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 6.01454 8.80334 13.7656 7.31914 5.01407 11.762 numMergedOcc 0
4 mol 48 unq 4 iso 0 dist 6.31161 6.78264 9.79694 7.44442 7.11559 6.15466 numMergedOcc 0
5 mol 48 unq 5 iso 0 dist 6.31161 8.45484 6.73491 7.44442 7.11559 11.8658 numMergedOcc 0
6 mol 55 unq 0 iso 0 dist 9.30367 8.37045 5.80038 7.43154 11.6572 6.71933 numMergedOcc 0
7 mol 55 unq 1 iso 0 dist 6.67079 7.01944 4.11996 7.66471 5.41761 5.74638 numMergedOcc 0
8 mol 55 unq 2 iso 0 dist 7.14636 7.01944 5.27768 7.66471 9.8912 5.74638 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 8.36667 5.29487 9.46017 8.26633 12.6278 12.2777 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 6.98862 8.84839 9.76857 4.66377 5.00699 5.50141 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 6.60356 6.0026 8.57632 6.14415 6.04919 6.00843 numMergedOcc 0
12 mol 105 unq 0 iso 0 dist 8.80388 9.3724 11.2006 5.74652 9.68577 6.14305 numMergedOcc 0
13 mol 105 unq 1 iso 0 dist 7.28156 9.3724 10.9335 5.74652 7.14906 6.14305 numMergedOcc 0
14 mol 130 unq 0 iso 0 dist 6.54338 8.67153 7.89412 6.87562 4.79695 10.6944 numMergedOcc 0
15 mol 130 unq 1 iso 0 dist 9.39135 8.67153 5.1247 6.87562 8.11667 10.6944 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 7.64085 8.22353 5.45952 6.93136 6.07527 7.12863 numMergedOcc 0
17 mol 167 unq 0 iso 0 dist 9.82329 9.72291 6.28495 9.69541 5.68139 9.34358 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 9.47945 7.13078 6.77761 6.81707 10.6959 6.76264 numMergedOcc 0
19 mol 183 unq 0 iso 0 dist 7.94469 8.57818 8.82097 6.40448 4.18413 5.45974 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 8.23246 8.89838 4.6069 7.60925 9.38497 6.06491 numMergedOcc 0
21 mol 220 unq 1 iso 0 dist 7.35148 9.13234 9.3304 8.31564 6.57369 7.2097 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 8.34832 9.51945 15.8519 9.36997 12.8764 5.37742 numMergedOcc 0
23 mol 239 unq 1 iso 0 dist 8.34832 9.51945 15.8519 9.97907 14.9673 6.2996 numMergedOcc 0
24 mol 239 unq 2 iso 0 dist 8.34832 9.51945 15.8519 8.83751 8.27455 16.965 numMergedOcc 0
25 mol 239 unq 3 iso 0 dist 8.34832 9.51945 15.8519 8.77688 13.5505 14.1937 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 8.61786 5.45375 4.75686 9.98606 11.1063 8.12927 numMergedOcc 0
27 mol 266 unq 1 iso 0 dist 8.61786 9.9145 10.8282 9.98606 11.1063 5.78726 numMergedOcc 0
28 mol 266 unq 2 iso 0 dist 8.42706 5.45375 10.3992 9.98606 17.6604 8.12927 numMergedOcc 0
29 mol 266 unq 3 iso 0 dist 8.42706 9.9145 15.5784 9.98606 17.6604 5.78726 numMergedOcc 0
30 mol 279 unq 0 iso 0 dist 7.319 5.81721 6.98535 7.88343 9.1711 9.44756 numMergedOcc 0
31 mol 279 unq 1 iso 0 dist 6.12742 5.81721 5.4527 7.88343 7.91886 9.44756 numMergedOcc 0
32 mol 279 unq 2 iso 0 dist 9.45886 5.81721 5.87196 7.88343 12.8975 9.44756 numMergedOcc 0
33 mol 284 unq 0 iso 0 dist 9.47963 6.34235 10.5918 9.12227 12.8423 4.44855 numMergedOcc 0
