0 mol 8 unq 0 iso 0 dist 8.37509 8.76702 5.7343 6.27477 11.3728 8.02605 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 8.37509 6.27477 11.3728 8.76702 5.7343 8.02605 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 7.06922 9.31319 6.3156 8.2513 5.37608 7.32297 numMergedOcc 0
3 mol 46 unq 0 iso 1 dist 7.06922 8.2513 5.37608 9.31319 6.3156 7.32297 numMergedOcc 0
4 mol 66 unq 0 iso 0 dist 7.48714 8.04639 12.1542 7.69019 6.66235 9.61194 numMergedOcc 0
5 mol 66 unq 0 iso 1 dist 7.48714 7.69019 6.66235 8.04639 12.1542 9.61194 numMergedOcc 0
6 mol 70 unq 0 iso 0 dist 4.79868 7.95122 5.54966 9.74268 9.69588 5.22626 numMergedOcc 0
7 mol 70 unq 0 iso 1 dist 4.79868 9.74268 9.69588 7.95122 5.54966 5.22626 numMergedOcc 0
8 mol 94 unq 0 iso 0 dist 8.80788 9.24996 6.79503 8.37473 7.11306 8.97208 numMergedOcc 0
9 mol 94 unq 0 iso 1 dist 8.80788 8.37473 7.11306 9.24996 6.79503 8.97208 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 8.43908 6.9538 6.89206 9.36111 10.0512 5.04987 numMergedOcc 0
11 mol 98 unq 0 iso 1 dist 8.43908 9.36111 10.0512 6.9538 6.89206 5.04987 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 6.30762 9.64856 5.29246 6.38977 8.25445 7.50824 numMergedOcc 0
13 mol 131 unq 0 iso 1 dist 6.30762 6.38977 8.25445 9.64856 5.29246 7.50824 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 6.30762 9.64856 5.29246 9.69757 11.8349 11.0599 numMergedOcc 0
15 mol 131 unq 1 iso 1 dist 6.30762 9.69757 11.8349 9.64856 5.29246 11.0599 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 6.30762 6.38977 8.25445 9.69757 11.8349 5.55373 numMergedOcc 0
17 mol 131 unq 1 iso 1 dist 6.30762 9.69757 11.8349 6.38977 8.25445 5.55373 numMergedOcc 0
18 mol 148 unq 0 iso 0 dist 6.81055 9.7168 12.052 7.38138 5.2593 8.05787 numMergedOcc 0
19 mol 148 unq 0 iso 1 dist 6.81055 7.38138 5.2593 9.7168 12.052 8.05787 numMergedOcc 0
20 mol 150 unq 0 iso 0 dist 6.77966 9.61132 11.9651 7.34423 5.1918 8.10457 numMergedOcc 0
21 mol 150 unq 0 iso 1 dist 6.77966 7.34423 5.1918 9.61132 11.9651 8.10457 numMergedOcc 0
22 mol 156 unq 0 iso 0 dist 8.46837 7.39961 9.97803 7.80643 5.0966 5.76755 numMergedOcc 0
23 mol 156 unq 0 iso 1 dist 8.46837 7.80643 5.0966 7.39961 9.97803 5.76755 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 7.01007 8.50904 9.78176 7.04318 6.15969 6.2715 numMergedOcc 0
25 mol 175 unq 0 iso 1 dist 7.01007 7.04318 6.15969 8.50904 9.78176 6.2715 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 4.58449 7.96424 10.7787 5.40366 5.78532 6.89336 numMergedOcc 0
27 mol 220 unq 0 iso 1 dist 4.58449 5.40366 5.78532 7.96424 10.7787 6.89336 numMergedOcc 0
28 mol 220 unq 1 iso 0 dist 4.58449 7.96424 10.7787 8.93637 6.24624 13.4403 numMergedOcc 0
29 mol 220 unq 1 iso 1 dist 4.58449 8.93637 6.24624 7.96424 10.7787 13.4403 numMergedOcc 0
30 mol 220 unq 1 iso 0 dist 4.58449 5.40366 5.78532 8.93637 6.24624 6.55533 numMergedOcc 0
31 mol 220 unq 1 iso 1 dist 4.58449 8.93637 6.24624 5.40366 5.78532 6.55533 numMergedOcc 0
32 mol 220 unq 2 iso 0 dist 7.03223 7.96424 10.48 5.40366 5.23846 6.89336 numMergedOcc 0
33 mol 220 unq 2 iso 1 dist 7.03223 5.40366 5.23846 7.96424 10.48 6.89336 numMergedOcc 0
34 mol 220 unq 3 iso 0 dist 7.03223 7.96424 10.48 8.93637 6.02282 13.4403 numMergedOcc 0
35 mol 220 unq 3 iso 1 dist 7.03223 8.93637 6.02282 7.96424 10.48 13.4403 numMergedOcc 0
36 mol 220 unq 3 iso 0 dist 7.03223 5.40366 5.23846 8.93637 6.02282 6.55533 numMergedOcc 0
37 mol 220 unq 3 iso 1 dist 7.03223 8.93637 6.02282 5.40366 5.23846 6.55533 numMergedOcc 0
38 mol 241 unq 0 iso 0 dist 8.10617 8.98617 7.77159 6.74552 9.5998 8.13129 numMergedOcc 0
39 mol 241 unq 0 iso 1 dist 8.10617 6.74552 9.5998 8.98617 7.77159 8.13129 numMergedOcc 0
40 mol 261 unq 0 iso 0 dist 8.9569 7.26647 15.1428 7.7309 15.7709 4.63549 numMergedOcc 0
41 mol 261 unq 0 iso 1 dist 8.9569 7.7309 15.7709 7.26647 15.1428 4.63549 numMergedOcc 0
42 mol 271 unq 0 iso 0 dist 7.70069 9.04738 5.33191 8.68046 7.51599 9.81725 numMergedOcc 0
43 mol 271 unq 0 iso 1 dist 7.70069 8.68046 7.51599 9.04738 5.33191 9.81725 numMergedOcc 0
44 mol 271 unq 1 iso 0 dist 7.70069 9.04738 5.33191 5.98336 5.72209 10.2122 numMergedOcc 0
45 mol 271 unq 1 iso 1 dist 7.70069 5.98336 5.72209 9.04738 5.33191 10.2122 numMergedOcc 0
46 mol 271 unq 2 iso 0 dist 7.70069 9.04738 5.33191 9.67453 14.8116 16.9733 numMergedOcc 0
47 mol 271 unq 2 iso 1 dist 7.70069 9.67453 14.8116 9.04738 5.33191 16.9733 numMergedOcc 0
48 mol 271 unq 1 iso 0 dist 7.70069 8.68046 7.51599 5.98336 5.72209 6.8467 numMergedOcc 0
49 mol 271 unq 1 iso 1 dist 7.70069 5.98336 5.72209 8.68046 7.51599 6.8467 numMergedOcc 0
50 mol 271 unq 2 iso 0 dist 7.70069 8.68046 7.51599 9.67453 14.8116 9.98968 numMergedOcc 0
51 mol 271 unq 2 iso 1 dist 7.70069 9.67453 14.8116 8.68046 7.51599 9.98968 numMergedOcc 0
52 mol 271 unq 2 iso 0 dist 7.70069 5.98336 5.72209 9.67453 14.8116 10.5503 numMergedOcc 0
53 mol 271 unq 2 iso 1 dist 7.70069 9.67453 14.8116 5.98336 5.72209 10.5503 numMergedOcc 0
54 mol 282 unq 0 iso 0 dist 9.40138 7.70229 4.58403 7.90792 5.04235 4.66602 numMergedOcc 0
55 mol 282 unq 0 iso 1 dist 9.40138 7.90792 5.04235 7.70229 4.58403 4.66602 numMergedOcc 0
56 mol 282 unq 1 iso 0 dist 8.37963 7.70229 14.9812 7.90792 15.4482 4.66602 numMergedOcc 0
57 mol 282 unq 1 iso 1 dist 8.37963 7.90792 15.4482 7.70229 14.9812 4.66602 numMergedOcc 0
58 mol 284 unq 0 iso 0 dist 7.71744 9.27402 9.00582 9.26573 7.29392 5.87439 numMergedOcc 0
59 mol 284 unq 0 iso 1 dist 7.71744 9.26573 7.29392 9.27402 9.00582 5.87439 numMergedOcc 0
60 mol 284 unq 1 iso 0 dist 4.70976 9.27402 5.21448 9.26573 5.10189 5.87439 numMergedOcc 0
61 mol 284 unq 1 iso 1 dist 4.70976 9.26573 5.10189 9.27402 5.21448 5.87439 numMergedOcc 0
