0 mol 15 unq 0 iso 0 dist 7.876 6.29685 9.85515 5.90976 9.90484 11.5727 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 7.876 5.90976 9.90484 6.29685 9.85515 11.5727 numMergedOcc 0
2 mol 15 unq 1 iso 0 dist 8.63502 11.2052 9.85515 5.51916 9.90484 11.5727 numMergedOcc 0
3 mol 15 unq 1 iso 1 dist 8.63502 5.51916 9.90484 11.2052 9.85515 11.5727 numMergedOcc 0
4 mol 42 unq 0 iso 0 dist 8.4184 9.34878 8.01046 5.08257 8.2717 9.50855 numMergedOcc 0
5 mol 42 unq 0 iso 1 dist 8.4184 5.08257 8.2717 9.34878 8.01046 9.50855 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 9.30559 14.5201 8.39494 6.01133 7.7118 11.2101 numMergedOcc 0
7 mol 88 unq 0 iso 1 dist 9.30559 6.01133 7.7118 14.5201 8.39494 11.2101 numMergedOcc 0
8 mol 88 unq 1 iso 0 dist 6.066 5.90098 9.64465 6.95868 8.01572 10.669 numMergedOcc 0
9 mol 88 unq 1 iso 1 dist 6.066 6.95868 8.01572 5.90098 9.64465 10.669 numMergedOcc 0
10 mol 88 unq 2 iso 0 dist 9.36032 4.58465 9.64465 6.97239 8.01572 10.669 numMergedOcc 0
11 mol 88 unq 2 iso 1 dist 9.36032 6.97239 8.01572 4.58465 9.64465 10.669 numMergedOcc 0
12 mol 88 unq 3 iso 0 dist 5.96359 4.37348 8.39494 9.50212 7.7118 11.2101 numMergedOcc 0
13 mol 88 unq 3 iso 1 dist 5.96359 9.50212 7.7118 4.37348 8.39494 11.2101 numMergedOcc 0
14 mol 88 unq 4 iso 0 dist 8.3592 14.227 9.64465 4.37348 8.01572 10.669 numMergedOcc 0
15 mol 88 unq 4 iso 1 dist 8.3592 4.37348 8.01572 14.227 9.64465 10.669 numMergedOcc 0
16 mol 88 unq 5 iso 0 dist 7.48974 7.82202 8.39494 6.36868 7.7118 11.2101 numMergedOcc 0
17 mol 88 unq 5 iso 1 dist 7.48974 6.36868 7.7118 7.82202 8.39494 11.2101 numMergedOcc 0
18 mol 88 unq 6 iso 0 dist 8.40428 12.3499 8.39494 6.75274 7.7118 11.2101 numMergedOcc 0
19 mol 88 unq 6 iso 1 dist 8.40428 6.75274 7.7118 12.3499 8.39494 11.2101 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 6.05583 10.6871 8.21182 7.58137 7.5547 7.38238 numMergedOcc 0
21 mol 133 unq 0 iso 1 dist 6.05583 7.58137 7.5547 10.6871 8.21182 7.38238 numMergedOcc 0
22 mol 133 unq 1 iso 0 dist 6.05583 10.6871 8.21182 13.9603 9.31771 7.08159 numMergedOcc 0
23 mol 133 unq 1 iso 1 dist 6.05583 13.9603 9.31771 10.6871 8.21182 7.08159 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 6.05583 7.58137 7.5547 13.9603 9.31771 9.00907 numMergedOcc 0
25 mol 133 unq 1 iso 1 dist 6.05583 13.9603 9.31771 7.58137 7.5547 9.00907 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 8.65986 5.45435 5.99748 10.6609 9.28684 5.75826 numMergedOcc 0
27 mol 134 unq 0 iso 1 dist 8.65986 10.6609 9.28684 5.45435 5.99748 5.75826 numMergedOcc 0
28 mol 175 unq 0 iso 0 dist 6.95549 9.11521 9.37196 11.8699 8.57742 12.9289 numMergedOcc 0
29 mol 175 unq 0 iso 1 dist 6.95549 11.8699 8.57742 9.11521 9.37196 12.9289 numMergedOcc 0
30 mol 194 unq 0 iso 0 dist 7.61316 8.64937 9.61634 7.82648 5.11333 10.6079 numMergedOcc 0
31 mol 194 unq 0 iso 1 dist 7.61316 7.82648 5.11333 8.64937 9.61634 10.6079 numMergedOcc 0
32 mol 213 unq 0 iso 0 dist 8.29133 12.2579 5.18463 15.28 7.06118 4.8814 numMergedOcc 0
33 mol 213 unq 0 iso 1 dist 8.29133 15.28 7.06118 12.2579 5.18463 4.8814 numMergedOcc 0
34 mol 213 unq 1 iso 0 dist 8.96646 13.2686 5.18463 15.6315 7.06118 4.8814 numMergedOcc 0
35 mol 213 unq 1 iso 1 dist 8.96646 15.6315 7.06118 13.2686 5.18463 4.8814 numMergedOcc 0
36 mol 219 unq 0 iso 0 dist 5.40597 4.74167 5.55804 11.4067 7.8726 7.76066 numMergedOcc 0
37 mol 219 unq 0 iso 1 dist 5.40597 11.4067 7.8726 4.74167 5.55804 7.76066 numMergedOcc 0
38 mol 219 unq 1 iso 0 dist 7.66784 4.9853 5.55804 7.97735 7.8726 7.76066 numMergedOcc 0
39 mol 219 unq 1 iso 1 dist 7.66784 7.97735 7.8726 4.9853 5.55804 7.76066 numMergedOcc 0
40 mol 219 unq 2 iso 0 dist 8.69579 11.0147 5.55804 4.52622 7.8726 7.76066 numMergedOcc 0
41 mol 219 unq 2 iso 1 dist 8.69579 4.52622 7.8726 11.0147 5.55804 7.76066 numMergedOcc 0
42 mol 219 unq 3 iso 0 dist 6.71733 7.87195 5.55804 5.13707 7.8726 7.76066 numMergedOcc 0
43 mol 219 unq 3 iso 1 dist 6.71733 5.13707 7.8726 7.87195 5.55804 7.76066 numMergedOcc 0
44 mol 234 unq 0 iso 0 dist 7.72403 10.6156 9.76304 15.0456 8.83027 10.9755 numMergedOcc 0
45 mol 234 unq 0 iso 1 dist 7.72403 15.0456 8.83027 10.6156 9.76304 10.9755 numMergedOcc 0
46 mol 234 unq 1 iso 0 dist 6.35438 5.56749 9.76304 12.1076 8.83027 10.9755 numMergedOcc 0
47 mol 234 unq 1 iso 1 dist 6.35438 12.1076 8.83027 5.56749 9.76304 10.9755 numMergedOcc 0
48 mol 234 unq 2 iso 0 dist 9.57132 8.0608 9.76304 6.29366 8.83027 10.9755 numMergedOcc 0
49 mol 234 unq 2 iso 1 dist 9.57132 6.29366 8.83027 8.0608 9.76304 10.9755 numMergedOcc 0
50 mol 270 unq 0 iso 0 dist 8.34847 5.92046 8.99244 6.88143 7.8423 6.73396 numMergedOcc 0
51 mol 270 unq 0 iso 1 dist 8.34847 6.88143 7.8423 5.92046 8.99244 6.73396 numMergedOcc 0
52 mol 270 unq 1 iso 0 dist 9.73905 15.1125 8.99244 14.4924 7.8423 6.73396 numMergedOcc 0
53 mol 270 unq 1 iso 1 dist 9.73905 14.4924 7.8423 15.1125 8.99244 6.73396 numMergedOcc 0
