0 mol 18 unq 0 iso 0 dist 8.17979 5.03451 4.96019 8.93027 12.6372 7.94376 12.3498 10.7322 9.14029 8.80193 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 9.48375 8.16102 16.7495 5.84177 14.1773 9.29273 9.62305 15.4799 10.9668 8.71752 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 6.85127 8.16102 12.314 5.84177 12.632 9.29273 9.62305 14.1714 10.9668 8.71752 numMergedOcc 0
3 mol 27 unq 2 iso 0 dist 8.58169 8.16102 6.16154 5.84177 12.7052 9.29273 9.62305 12.3417 10.9668 8.71752 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 5.72494 7.85115 11.4876 9.41836 12.9296 5.51053 8.68825 11.8761 3.56771 9.07734 numMergedOcc 0
5 mol 103 unq 1 iso 0 dist 8.70106 7.85115 11.2795 9.41836 10.0799 5.51053 8.68825 13.2825 3.56771 9.07734 numMergedOcc 0
6 mol 143 unq 0 iso 0 dist 9.76501 7.99127 7.57516 10.4027 13.9384 7.2932 4.86894 5.70415 4.19541 9.30424 numMergedOcc 0
7 mol 148 unq 0 iso 0 dist 8.60157 7.91749 3.54257 6.57631 6.86997 8.74878 4.7785 6.43817 4.43652 8.73468 numMergedOcc 0
8 mol 148 unq 1 iso 0 dist 6.72591 7.91749 8.03052 6.57631 11.5345 8.74878 4.7785 6.16168 4.43652 8.73468 numMergedOcc 0
9 mol 150 unq 0 iso 0 dist 8.59359 7.96309 3.59609 6.56068 6.79381 8.74018 4.79493 6.48058 4.48089 8.73558 numMergedOcc 0
10 mol 150 unq 1 iso 0 dist 6.80192 7.96309 8.06512 6.56068 11.5855 8.74018 4.79493 6.14967 4.48089 8.73558 numMergedOcc 0
11 mol 168 unq 0 iso 0 dist 9.88342 6.24232 9.69599 12.3252 13.5627 6.12453 12.2951 10.1211 7.8982 7.60254 numMergedOcc 0
12 mol 168 unq 1 iso 0 dist 9.88342 6.13116 7.91845 12.3252 13.5627 9.87447 12.2951 10.1211 6.7031 7.60254 numMergedOcc 0
13 mol 168 unq 2 iso 0 dist 9.58783 8.1953 16.4635 7.48749 12.4168 6.12453 6.80155 14.1838 7.8982 7.60254 numMergedOcc 0
14 mol 168 unq 3 iso 0 dist 9.58783 8.16253 17.6725 7.48749 12.4168 9.87447 6.80155 14.1838 6.7031 7.60254 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 9.0757 9.11936 7.551 5.71349 4.88303 9.62748 5.87728 12.848 11.5516 9.75763 numMergedOcc 0
16 mol 184 unq 1 iso 0 dist 9.0757 9.11936 7.551 5.71349 4.88303 9.62748 6.71538 6.36605 3.67094 7.0685 numMergedOcc 0
17 mol 184 unq 2 iso 0 dist 9.0757 9.11936 7.551 5.71349 4.88303 9.62748 8.58856 8.2618 11.1303 6.44904 numMergedOcc 0
18 mol 184 unq 3 iso 0 dist 9.0757 8.20517 4.75805 5.71349 4.88303 5.12964 5.87728 12.848 9.74321 9.75763 numMergedOcc 0
19 mol 184 unq 4 iso 0 dist 9.0757 8.20517 4.75805 5.71349 4.88303 5.12964 6.71538 6.36605 5.06572 7.0685 numMergedOcc 0
20 mol 184 unq 5 iso 0 dist 9.0757 8.20517 4.75805 5.71349 4.88303 5.12964 8.58856 8.2618 3.88336 6.44904 numMergedOcc 0
21 mol 184 unq 6 iso 0 dist 9.39563 9.15923 4.75805 12.9618 4.88303 5.12964 18.5277 12.848 9.74321 9.75763 numMergedOcc 0
22 mol 184 unq 7 iso 0 dist 9.39563 9.15923 4.75805 12.9618 4.88303 5.12964 12.1536 6.36605 5.06572 7.0685 numMergedOcc 0
23 mol 184 unq 8 iso 0 dist 9.39563 9.15923 4.75805 12.9618 4.88303 5.12964 11.4397 8.2618 3.88336 6.44904 numMergedOcc 0
24 mol 184 unq 9 iso 0 dist 7.51045 6.03505 4.75805 8.54538 4.88303 5.12964 14.8049 12.848 9.74321 9.75763 numMergedOcc 0
25 mol 184 unq 10 iso 0 dist 7.51045 6.03505 4.75805 8.54538 4.88303 5.12964 10.9374 6.36605 5.06572 7.0685 numMergedOcc 0
26 mol 184 unq 11 iso 0 dist 7.51045 6.03505 4.75805 8.54538 4.88303 5.12964 6.76009 8.2618 3.88336 6.44904 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 8.98221 7.93815 12.6927 13.1468 19.5782 8.2241 12.3058 14.2268 6.54455 8.97471 numMergedOcc 0
28 mol 214 unq 0 iso 0 dist 9.66533 7.81831 6.49466 10.2269 13.8459 8.41013 15.7392 14.9983 11.4548 7.69296 numMergedOcc 0
