0 mol 11 unq 0 iso 0 dist 9.74528 15.0022 6.83186 14.6629 7.16699 5.40468 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 7.7871 11.1346 8.53424 13.3907 9.64948 5.42412 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 7.7871 10.8275 7.08766 13.3907 9.64948 8.09862 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 7.7871 10.8275 7.08766 14.0551 10.1805 8.97167 numMergedOcc 0
4 mol 28 unq 3 iso 0 dist 7.7871 7.90018 4.82199 13.3907 9.64948 8.89114 numMergedOcc 0
5 mol 28 unq 4 iso 0 dist 7.7871 7.90018 4.82199 14.0551 10.1805 8.8182 numMergedOcc 0
6 mol 29 unq 0 iso 0 dist 6.80828 4.52631 9.2087 11.0562 9.09595 9.03639 numMergedOcc 0
7 mol 30 unq 0 iso 0 dist 7.88072 4.83638 9.63882 8.204 3.90342 9.11745 numMergedOcc 0
8 mol 30 unq 1 iso 0 dist 7.88072 5.2103 6.87277 8.204 3.90342 4.62145 numMergedOcc 0
9 mol 33 unq 0 iso 0 dist 7.89306 5.71433 4.78873 11.4403 3.63113 7.97002 numMergedOcc 0
10 mol 48 unq 0 iso 0 dist 5.43913 9.53255 8.96151 11.2983 7.0331 7.33788 numMergedOcc 0
11 mol 48 unq 1 iso 0 dist 5.43913 9.53255 8.96151 13.3536 10.4499 8.52681 numMergedOcc 0
12 mol 48 unq 2 iso 0 dist 8.26877 9.53255 4.22002 11.2983 3.85292 7.33788 numMergedOcc 0
13 mol 48 unq 3 iso 0 dist 8.26877 9.53255 4.22002 13.3536 6.44604 8.52681 numMergedOcc 0
14 mol 48 unq 4 iso 0 dist 8.26877 14.2848 8.10774 11.2983 3.85292 9.74351 numMergedOcc 0
15 mol 48 unq 5 iso 0 dist 8.26877 14.2848 8.10774 13.3536 6.44604 9.98769 numMergedOcc 0
16 mol 48 unq 6 iso 0 dist 8.26877 12.4977 6.5241 16.3967 8.48678 9.55284 numMergedOcc 0
17 mol 48 unq 7 iso 0 dist 8.26877 12.4977 6.5241 11.2983 3.85292 7.36877 numMergedOcc 0
18 mol 48 unq 8 iso 0 dist 7.99434 8.12843 4.22002 9.40644 3.85292 7.33788 numMergedOcc 0
19 mol 48 unq 9 iso 0 dist 7.99434 8.12843 4.22002 5.35252 6.44604 8.52681 numMergedOcc 0
20 mol 48 unq 10 iso 0 dist 7.99434 9.72202 8.10774 9.40644 3.85292 9.74351 numMergedOcc 0
21 mol 48 unq 11 iso 0 dist 7.99434 9.72202 8.10774 5.35252 6.44604 9.98769 numMergedOcc 0
22 mol 48 unq 12 iso 0 dist 7.99434 12.7252 6.5241 11.2709 8.48678 9.55284 numMergedOcc 0
23 mol 48 unq 13 iso 0 dist 7.99434 12.7252 6.5241 9.40644 3.85292 7.36877 numMergedOcc 0
24 mol 48 unq 14 iso 0 dist 7.49794 13.819 8.14245 10.6561 3.72746 9.21776 numMergedOcc 0
25 mol 48 unq 15 iso 0 dist 7.49794 13.819 8.14245 12.5275 6.4561 9.40291 numMergedOcc 0
26 mol 48 unq 16 iso 0 dist 7.49794 11.8742 6.36817 10.6561 3.72746 6.89752 numMergedOcc 0
27 mol 48 unq 17 iso 0 dist 7.49794 9.10301 4.17933 10.6561 3.72746 6.85843 numMergedOcc 0
28 mol 48 unq 18 iso 0 dist 7.49794 9.10301 4.17933 12.5275 6.4561 7.94814 numMergedOcc 0
29 mol 48 unq 19 iso 0 dist 7.49794 7.24268 5.54893 12.5275 6.4561 9.55632 numMergedOcc 0
30 mol 48 unq 20 iso 0 dist 8.10222 9.57893 8.14245 9.366 3.72746 9.21776 numMergedOcc 0
31 mol 48 unq 21 iso 0 dist 8.10222 9.57893 8.14245 5.06188 6.4561 9.40291 numMergedOcc 0
32 mol 48 unq 22 iso 0 dist 8.10222 12.6437 6.36817 9.366 3.72746 6.89752 numMergedOcc 0
33 mol 48 unq 23 iso 0 dist 8.10222 7.88988 4.17933 9.366 3.72746 6.85843 numMergedOcc 0
34 mol 48 unq 24 iso 0 dist 8.10222 7.88988 4.17933 5.06188 6.4561 7.94814 numMergedOcc 0
35 mol 48 unq 25 iso 0 dist 8.10222 8.00934 5.54893 5.06188 6.4561 9.55632 numMergedOcc 0
36 mol 63 unq 0 iso 0 dist 6.89855 9.54378 9.13228 13.3867 12.6017 6.42443 numMergedOcc 0
37 mol 63 unq 1 iso 0 dist 7.85738 4.44607 9.13228 6.49343 12.6017 6.42443 numMergedOcc 0
38 mol 76 unq 0 iso 0 dist 5.91098 11.6853 7.66068 7.48127 8.58474 9.50939 numMergedOcc 0
39 mol 76 unq 1 iso 0 dist 4.86523 4.94673 7.66068 11.1162 8.58474 9.50939 numMergedOcc 0
40 mol 78 unq 0 iso 0 dist 9.39265 3.74336 9.2057 6.54194 3.63624 6.13394 numMergedOcc 0
41 mol 78 unq 1 iso 0 dist 6.11101 7.38398 8.61143 9.86325 7.86077 7.50229 numMergedOcc 0
42 mol 83 unq 0 iso 0 dist 7.69755 4.12785 7.50925 7.2118 4.48523 5.13041 numMergedOcc 0
43 mol 83 unq 1 iso 0 dist 9.64197 9.58199 7.50925 11.3405 4.48523 5.13041 numMergedOcc 0
44 mol 90 unq 0 iso 0 dist 8.63446 4.77556 5.24346 9.06641 6.65219 7.01987 numMergedOcc 0
45 mol 92 unq 0 iso 0 dist 8.01266 4.65353 8.55237 7.70612 4.51052 9.62106 numMergedOcc 0
46 mol 143 unq 0 iso 0 dist 9.99012 11.9534 4.3855 12.4651 3.66518 6.38786 numMergedOcc 0
47 mol 143 unq 1 iso 0 dist 5.33772 5.08025 4.3855 5.40826 3.66518 6.38786 numMergedOcc 0
48 mol 193 unq 0 iso 0 dist 9.13587 16.5276 8.30069 11.0513 4.8988 9.73679 numMergedOcc 0
49 mol 230 unq 0 iso 0 dist 8.01593 4.45276 9.47092 9.24729 3.86973 9.62914 numMergedOcc 0
50 mol 254 unq 0 iso 0 dist 9.84028 11.2466 9.20109 12.9967 9.72134 7.40957 numMergedOcc 0
51 mol 256 unq 0 iso 0 dist 6.33954 6.51471 5.58222 6.45473 5.16057 9.49634 numMergedOcc 0
52 mol 266 unq 0 iso 0 dist 6.48382 5.79323 6.96692 9.62494 4.39553 9.90506 numMergedOcc 0
53 mol 266 unq 1 iso 0 dist 6.48382 5.79323 6.96692 10.0796 3.94797 9.03341 numMergedOcc 0
54 mol 266 unq 2 iso 0 dist 6.48382 7.52317 8.25286 9.0836 7.63149 6.39822 numMergedOcc 0
55 mol 266 unq 3 iso 0 dist 6.48382 7.52317 8.25286 9.62494 4.39553 8.61077 numMergedOcc 0
56 mol 266 unq 4 iso 0 dist 6.48382 9.52953 9.9965 9.0836 7.63149 5.36518 numMergedOcc 0
57 mol 266 unq 5 iso 0 dist 6.48382 9.52953 9.9965 9.62494 4.39553 9.11585 numMergedOcc 0
58 mol 266 unq 6 iso 0 dist 7.36137 13.1028 8.25286 18.3104 15.2892 7.74133 numMergedOcc 0
59 mol 266 unq 7 iso 0 dist 6.83784 8.39575 8.25286 15.304 15.2892 7.74133 numMergedOcc 0
60 mol 266 unq 8 iso 0 dist 4.95415 13.1028 9.9965 18.3104 16.6916 7.74133 numMergedOcc 0
61 mol 266 unq 9 iso 0 dist 6.38519 8.39575 9.9965 15.304 16.6916 7.74133 numMergedOcc 0
62 mol 268 unq 0 iso 0 dist 7.40323 5.39453 9.52476 5.94741 6.07203 5.49906 numMergedOcc 0
63 mol 277 unq 0 iso 0 dist 4.1545 5.11865 7.98956 8.15119 9.21484 9.07744 numMergedOcc 0
64 mol 277 unq 1 iso 0 dist 4.1545 5.11865 7.98956 9.29402 7.73174 8.42892 numMergedOcc 0
65 mol 277 unq 2 iso 0 dist 4.1545 5.11865 7.98956 13.5254 16.883 8.90967 numMergedOcc 0
66 mol 277 unq 3 iso 0 dist 4.25172 5.11865 5.86185 8.15119 10.3506 9.07744 numMergedOcc 0
67 mol 277 unq 4 iso 0 dist 4.25172 5.11865 5.86185 9.29402 5.42115 8.42892 numMergedOcc 0
68 mol 277 unq 5 iso 0 dist 4.25172 5.11865 5.86185 13.5254 14.5363 8.90967 numMergedOcc 0
