0 mol 12 unq 0 iso 0 dist 5.44478 5.70264 8.15864 8.59097 10.1259 6.6051 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.83248 10.3387 8.84944 15.1543 12.0149 7.21995 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 7.3754 5.91456 9.04549 11.1898 10.665 7.11706 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 8.0009 6.74022 8.52643 8.91298 5.76037 5.41357 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 8.0009 5.42653 9.75299 8.91298 5.76037 9.30042 numMergedOcc 0
5 mol 64 unq 2 iso 0 dist 8.91298 6.74022 5.41357 8.0009 5.76037 8.52643 numMergedOcc 0
6 mol 64 unq 3 iso 0 dist 8.91298 5.42653 9.30042 8.0009 5.76037 9.75299 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 6.57749 9.09097 6.12267 10.0625 5.55985 6.04303 numMergedOcc 0
8 mol 67 unq 1 iso 0 dist 6.57749 9.09097 6.12267 11.6746 6.9953 8.27009 numMergedOcc 0
9 mol 67 unq 2 iso 0 dist 6.57749 7.29064 8.43162 10.0625 5.55985 7.15248 numMergedOcc 0
10 mol 103 unq 0 iso 0 dist 5.72494 5.40051 7.66418 8.70106 6.73664 8.078 numMergedOcc 0
11 mol 103 unq 1 iso 0 dist 8.70106 5.40051 8.078 5.72494 6.73664 7.66418 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 9.15982 11.2753 6.54778 16.2604 8.36743 8.57909 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 8.58344 5.49967 9.84762 5.68879 4.76384 5.2184 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 5.68879 5.49967 5.2184 8.58344 4.76384 9.84762 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 7.78004 8.73734 6.08846 9.43182 7.88461 9.19171 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 9.43182 8.73734 9.19171 7.78004 7.88461 6.08846 numMergedOcc 0
17 mol 131 unq 2 iso 0 dist 6.53758 7.28525 6.08846 5.23223 7.88461 9.19171 numMergedOcc 0
18 mol 131 unq 3 iso 0 dist 5.23223 7.28525 9.19171 6.53758 7.88461 6.08846 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 4.46578 10.008 8.76088 12.1805 9.34083 5.79195 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 4.46578 10.008 8.76088 13.3116 11.2107 9.2759 numMergedOcc 0
21 mol 148 unq 0 iso 0 dist 5.86949 12.2411 9.18753 15.8488 10.8037 8.6953 numMergedOcc 0
22 mol 148 unq 1 iso 0 dist 8.60157 6.76353 8.6953 6.72591 10.8037 9.18753 numMergedOcc 0
23 mol 148 unq 2 iso 0 dist 6.72591 6.76353 9.18753 8.60157 10.8037 8.6953 numMergedOcc 0
24 mol 150 unq 0 iso 0 dist 5.84971 12.1573 9.15244 15.8889 10.8647 8.65967 numMergedOcc 0
25 mol 150 unq 1 iso 0 dist 8.59359 6.65519 8.65967 6.80192 10.8647 9.15244 numMergedOcc 0
26 mol 150 unq 2 iso 0 dist 6.80192 6.65519 9.15244 8.59359 10.8647 8.65967 numMergedOcc 0
27 mol 162 unq 0 iso 0 dist 9.66591 13.3178 9.96586 16.285 10.1297 7.30751 numMergedOcc 0
28 mol 165 unq 0 iso 0 dist 3.87901 8.4352 7.21397 13.7685 11.6064 9.8755 numMergedOcc 0
29 mol 165 unq 1 iso 0 dist 3.87901 8.4352 7.21397 12.0168 8.33453 8.46714 numMergedOcc 0
30 mol 165 unq 2 iso 0 dist 5.04534 5.73847 7.21397 14.0728 11.6064 9.8755 numMergedOcc 0
31 mol 165 unq 3 iso 0 dist 5.04534 5.73847 7.21397 10.9999 8.33453 8.46714 numMergedOcc 0
32 mol 168 unq 0 iso 0 dist 9.58783 11.4343 9.11481 11.2511 6.11195 7.41092 numMergedOcc 0
33 mol 168 unq 1 iso 0 dist 6.89643 5.8891 7.41092 11.1711 6.11195 9.11481 numMergedOcc 0
34 mol 182 unq 0 iso 0 dist 7.03216 4.60682 8.27913 9.42196 9.61687 8.85111 numMergedOcc 0
35 mol 182 unq 1 iso 0 dist 7.03216 4.60682 8.27913 10.7536 11.427 6.38335 numMergedOcc 0
36 mol 182 unq 2 iso 0 dist 9.42196 4.60682 8.85111 7.03216 9.61687 8.27913 numMergedOcc 0
37 mol 182 unq 3 iso 0 dist 9.42196 4.60682 8.85111 10.7536 9.71185 6.38335 numMergedOcc 0
38 mol 189 unq 0 iso 0 dist 9.71306 7.19635 9.95686 9.07003 8.91303 7.54658 numMergedOcc 0
39 mol 189 unq 1 iso 0 dist 9.71306 8.18227 9.47321 9.20296 8.74557 6.38294 numMergedOcc 0
40 mol 189 unq 2 iso 0 dist 9.20296 8.18227 6.38294 9.71306 8.74557 9.47321 numMergedOcc 0
41 mol 204 unq 0 iso 0 dist 7.5696 9.55695 6.20044 12.2383 8.63339 6.62514 numMergedOcc 0
42 mol 204 unq 1 iso 0 dist 7.5696 9.55695 6.20044 17.4453 11.09 9.41996 numMergedOcc 0
43 mol 220 unq 0 iso 0 dist 5.2376 7.16053 6.80214 12.476 12.1405 8.57174 numMergedOcc 0
44 mol 245 unq 0 iso 0 dist 7.1207 7.10254 7.95061 16.5964 15.2703 9.5096 numMergedOcc 0
45 mol 250 unq 0 iso 0 dist 9.73318 4.11548 8.51703 5.75551 6.53265 5.07895 numMergedOcc 0
46 mol 250 unq 1 iso 0 dist 5.75551 4.11548 5.07895 9.73318 6.53265 8.51703 numMergedOcc 0
47 mol 272 unq 0 iso 0 dist 9.10712 7.57685 7.90763 12.1539 6.08002 6.69245 numMergedOcc 0
48 mol 282 unq 0 iso 0 dist 6.15396 5.668 5.00258 9.73435 4.79603 6.04225 numMergedOcc 0
49 mol 282 unq 1 iso 0 dist 6.15396 5.668 5.00258 9.18964 5.92133 8.22117 numMergedOcc 0
50 mol 282 unq 2 iso 0 dist 6.15396 8.54733 9.98886 9.18964 5.92133 6.81887 numMergedOcc 0
51 mol 282 unq 3 iso 0 dist 9.18964 5.668 8.22117 9.73435 9.24679 6.04225 numMergedOcc 0
52 mol 282 unq 4 iso 0 dist 9.18964 5.668 8.22117 6.15396 5.92133 5.00258 numMergedOcc 0
53 mol 282 unq 5 iso 0 dist 9.18964 8.54733 6.81887 6.15396 5.92133 9.98886 numMergedOcc 0
54 mol 283 unq 0 iso 0 dist 6.89455 9.33643 9.28067 9.82337 7.89565 5.71075 numMergedOcc 0
55 mol 283 unq 1 iso 0 dist 9.82337 9.33643 5.71075 6.89455 7.89565 9.28067 numMergedOcc 0
56 mol 283 unq 2 iso 0 dist 8.07626 6.76599 9.28067 6.3448 7.89565 5.71075 numMergedOcc 0
57 mol 283 unq 3 iso 0 dist 6.3448 6.76599 5.71075 8.07626 7.89565 9.28067 numMergedOcc 0
58 mol 293 unq 0 iso 0 dist 6.02106 6.26633 7.41524 10.3468 8.71249 4.72125 numMergedOcc 0
59 mol 293 unq 1 iso 0 dist 6.02106 6.26633 7.41524 8.27274 5.34794 6.42608 numMergedOcc 0
60 mol 293 unq 2 iso 0 dist 8.27274 6.26633 6.42608 10.3468 6.3489 4.72125 numMergedOcc 0
61 mol 293 unq 3 iso 0 dist 8.27274 6.26633 6.42608 6.02106 5.34794 7.41524 numMergedOcc 0
