0 mol 42 unq 0 iso 0 dist 7.44829 13.006 8.08117 5.06225 7.84482 11.1435 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 9.75003 16.7397 7.56581 15.2365 9.34242 6.91765 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 9.75003 17.2265 9.22021 15.2365 9.34242 5.06052 numMergedOcc 0
3 mol 54 unq 2 iso 0 dist 6.95846 11.9881 7.56581 10.8658 9.34242 6.91765 numMergedOcc 0
4 mol 54 unq 3 iso 0 dist 6.95846 10.3564 9.22021 10.8658 9.34242 5.06052 numMergedOcc 0
5 mol 55 unq 0 iso 0 dist 8.64454 9.41535 7.13536 4.11996 6.01829 6.61841 numMergedOcc 0
6 mol 55 unq 1 iso 0 dist 6.59252 5.83044 7.13536 5.27768 6.01829 6.61841 numMergedOcc 0
7 mol 62 unq 0 iso 0 dist 7.86924 7.38915 7.13406 5.47792 9.84798 5.74658 numMergedOcc 0
8 mol 86 unq 0 iso 0 dist 9.18352 5.95257 9.46331 10.3237 9.04335 9.50338 numMergedOcc 0
9 mol 88 unq 0 iso 0 dist 8.95194 6.07226 6.066 11.0755 9.64465 5.90098 numMergedOcc 0
10 mol 88 unq 1 iso 0 dist 8.95194 6.07226 6.066 10.7438 8.01572 6.95868 numMergedOcc 0
11 mol 88 unq 2 iso 0 dist 8.95194 11.3835 9.36032 11.0755 9.64465 4.58465 numMergedOcc 0
12 mol 88 unq 3 iso 0 dist 8.95194 11.3835 9.36032 10.7438 8.01572 6.97239 numMergedOcc 0
13 mol 88 unq 4 iso 0 dist 8.95194 12.4322 8.3592 11.0755 9.64465 14.227 numMergedOcc 0
14 mol 88 unq 5 iso 0 dist 8.95194 12.4322 8.3592 10.7438 8.01572 4.37348 numMergedOcc 0
15 mol 88 unq 6 iso 0 dist 6.06617 7.70573 9.30559 13.2745 8.39494 14.5201 numMergedOcc 0
16 mol 88 unq 7 iso 0 dist 6.06617 7.70573 9.30559 6.08624 7.7118 6.01133 numMergedOcc 0
17 mol 88 unq 8 iso 0 dist 6.06617 10.0887 5.96359 13.2745 8.39494 4.37348 numMergedOcc 0
18 mol 88 unq 9 iso 0 dist 6.06617 10.0887 5.96359 6.08624 7.7118 9.50212 numMergedOcc 0
19 mol 88 unq 10 iso 0 dist 6.06617 8.35111 7.48974 13.2745 8.39494 7.82202 numMergedOcc 0
20 mol 88 unq 11 iso 0 dist 6.06617 8.35111 7.48974 6.08624 7.7118 6.36868 numMergedOcc 0
21 mol 88 unq 12 iso 0 dist 6.06617 5.6953 8.40428 13.2745 8.39494 12.3499 numMergedOcc 0
22 mol 88 unq 13 iso 0 dist 6.06617 5.6953 8.40428 6.08624 7.7118 6.75274 numMergedOcc 0
23 mol 111 unq 0 iso 0 dist 7.53973 4.93733 8.51098 7.78838 5.50321 5.77237 numMergedOcc 0
24 mol 127 unq 0 iso 0 dist 6.99723 9.75166 5.72373 7.34983 6.11979 4.77464 numMergedOcc 0
25 mol 127 unq 1 iso 0 dist 6.99723 12.9471 7.20988 7.34983 6.11979 7.11695 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 5.80662 5.26273 6.05583 11.0805 8.21182 10.6871 numMergedOcc 0
27 mol 133 unq 1 iso 0 dist 5.80662 5.26273 6.05583 5.6216 7.5547 7.58137 numMergedOcc 0
28 mol 133 unq 2 iso 0 dist 5.80662 5.26273 6.05583 11.5803 9.31771 13.9603 numMergedOcc 0
29 mol 175 unq 0 iso 0 dist 7.59434 5.96451 6.95549 13.7622 9.37196 9.11521 numMergedOcc 0
30 mol 175 unq 1 iso 0 dist 7.59434 5.96451 6.95549 14.0598 8.57742 11.8699 numMergedOcc 0
31 mol 175 unq 2 iso 0 dist 8.09125 13.2027 6.95549 11.158 9.37196 9.11521 numMergedOcc 0
32 mol 175 unq 3 iso 0 dist 8.09125 13.2027 6.95549 5.22658 8.57742 11.8699 numMergedOcc 0
33 mol 194 unq 0 iso 0 dist 8.65631 12.8467 7.61316 14.6521 9.61634 8.64937 numMergedOcc 0
34 mol 194 unq 1 iso 0 dist 8.65631 12.8467 7.61316 5.06149 5.11333 7.82648 numMergedOcc 0
35 mol 219 unq 0 iso 0 dist 7.44159 11.5979 5.40597 10.7269 5.55804 4.74167 numMergedOcc 0
36 mol 219 unq 1 iso 0 dist 7.44159 11.5979 5.40597 10.2112 7.8726 11.4067 numMergedOcc 0
37 mol 219 unq 2 iso 0 dist 7.44159 14.2005 7.66784 10.7269 5.55804 4.9853 numMergedOcc 0
38 mol 219 unq 3 iso 0 dist 7.44159 14.2005 7.66784 10.2112 7.8726 7.97735 numMergedOcc 0
39 mol 219 unq 4 iso 0 dist 7.44159 10.1098 8.69579 10.7269 5.55804 11.0147 numMergedOcc 0
40 mol 219 unq 5 iso 0 dist 7.44159 10.1098 8.69579 10.2112 7.8726 4.52622 numMergedOcc 0
41 mol 219 unq 6 iso 0 dist 7.44159 5.49378 6.71733 10.7269 5.55804 7.87195 numMergedOcc 0
42 mol 219 unq 7 iso 0 dist 7.44159 5.49378 6.71733 10.2112 7.8726 5.13707 numMergedOcc 0
43 mol 234 unq 0 iso 0 dist 9.71144 4.74041 7.72403 11.2839 9.76304 10.6156 numMergedOcc 0
44 mol 234 unq 1 iso 0 dist 9.71144 4.74041 7.72403 17.5589 8.83027 15.0456 numMergedOcc 0
45 mol 234 unq 2 iso 0 dist 9.71144 6.16697 6.35438 11.2839 9.76304 5.56749 numMergedOcc 0
46 mol 234 unq 3 iso 0 dist 9.71144 6.16697 6.35438 17.5589 8.83027 12.1076 numMergedOcc 0
47 mol 234 unq 4 iso 0 dist 9.71144 16.1011 9.57132 11.2839 9.76304 8.0608 numMergedOcc 0
48 mol 234 unq 5 iso 0 dist 9.71144 16.1011 9.57132 17.5589 8.83027 6.29366 numMergedOcc 0
49 mol 234 unq 6 iso 0 dist 7.87975 4.93539 7.27632 6.14528 6.55256 5.9221 numMergedOcc 0
50 mol 248 unq 0 iso 0 dist 6.43336 10.9137 9.12664 12.8247 8.79594 5.51827 numMergedOcc 0
51 mol 248 unq 1 iso 0 dist 6.43336 5.35181 6.51383 12.8247 8.79594 9.29921 numMergedOcc 0
