0 mol 1 unq 0 iso 0 dist 9.48433 10.1549 9.00903 6.28655 8.56884 9.01967 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 9.73896 5.84852 6.43774 7.06216 7.06308 4.71384 numMergedOcc 0
2 mol 45 unq 1 iso 0 dist 6.96797 5.84852 7.2846 7.06216 6.34173 4.71384 numMergedOcc 0
3 mol 45 unq 2 iso 0 dist 6.96797 6.5822 7.58835 7.06216 6.34173 5.67689 numMergedOcc 0
4 mol 52 unq 0 iso 0 dist 8.52979 11.4352 9.80098 13.1241 7.18176 5.93337 numMergedOcc 0
5 mol 52 unq 1 iso 0 dist 8.52979 14.6092 7.34143 13.1241 7.18176 4.5482 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 7.09258 10.0936 9.78528 6.65814 9.02278 11.6894 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 7.36475 5.66392 6.97941 8.76407 9.49449 6.06861 numMergedOcc 0
8 mol 88 unq 0 iso 0 dist 8.71603 9.86323 9.36773 11.6458 9.2603 6.95868 numMergedOcc 0
9 mol 88 unq 1 iso 0 dist 8.71603 5.3018 8.31336 11.6458 9.2603 6.97239 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 9.81252 5.61542 7.35754 6.83232 7.52743 4.77056 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 6.61066 6.06993 4.99221 10.3807 6.50039 5.60178 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 6.44766 7.69184 6.85062 8.49634 6.91348 6.19596 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 6.44766 7.69184 6.85062 5.0492 9.51418 6.6499 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 8.5778 10.2414 6.54501 17.082 8.6355 10.1448 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 8.5778 13.5276 6.49416 17.082 8.6355 5.41704 numMergedOcc 0
16 mol 155 unq 0 iso 0 dist 9.56095 6.64179 6.23493 12.9022 7.16254 6.3845 numMergedOcc 0
17 mol 155 unq 1 iso 0 dist 9.56095 6.64179 6.23493 10.5066 9.86313 5.86939 numMergedOcc 0
18 mol 182 unq 0 iso 0 dist 6.32172 11.6953 9.31746 7.08648 6.73313 11.1088 numMergedOcc 0
19 mol 197 unq 0 iso 0 dist 9.00273 12.3192 8.56633 12.8534 8.99696 9.82139 numMergedOcc 0
20 mol 197 unq 1 iso 0 dist 9.00273 12.3192 8.56633 14.69 7.85058 8.72637 numMergedOcc 0
21 mol 197 unq 2 iso 0 dist 9.00273 12.3192 8.56633 16.2393 9.96638 5.69148 numMergedOcc 0
22 mol 197 unq 3 iso 0 dist 7.19387 11.7609 8.56633 15.758 8.99696 9.82139 numMergedOcc 0
23 mol 197 unq 4 iso 0 dist 7.19387 11.7609 8.56633 8.21858 7.85058 8.72637 numMergedOcc 0
24 mol 197 unq 5 iso 0 dist 7.19387 11.7609 8.56633 15.2184 9.96638 5.69148 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 9.65951 11.5989 7.10633 10.8926 5.90931 5.09262 numMergedOcc 0
26 mol 204 unq 1 iso 0 dist 9.65951 9.99471 8.51516 10.8926 5.90931 12.9483 numMergedOcc 0
27 mol 204 unq 2 iso 0 dist 9.14829 6.73339 7.10633 5.63477 5.90931 5.09262 numMergedOcc 0
28 mol 204 unq 3 iso 0 dist 9.14829 13.2127 8.51516 5.63477 5.90931 12.9483 numMergedOcc 0
29 mol 214 unq 0 iso 0 dist 9.33638 15.9383 9.65138 11.401 6.97182 6.16485 numMergedOcc 0
30 mol 214 unq 1 iso 0 dist 9.33638 15.9383 9.65138 6.39677 6.1175 11.5712 numMergedOcc 0
31 mol 214 unq 2 iso 0 dist 9.33638 7.31241 7.14453 11.401 6.97182 5.33565 numMergedOcc 0
32 mol 214 unq 3 iso 0 dist 9.33638 7.31241 7.14453 6.39677 6.1175 5.06792 numMergedOcc 0
33 mol 214 unq 4 iso 0 dist 9.33638 17.0758 8.85478 11.401 6.97182 8.47007 numMergedOcc 0
34 mol 214 unq 5 iso 0 dist 9.33638 17.0758 8.85478 6.39677 6.1175 12.8334 numMergedOcc 0
35 mol 220 unq 0 iso 0 dist 9.05754 15.9524 9.23153 9.9115 6.84247 6.7067 numMergedOcc 0
36 mol 220 unq 1 iso 0 dist 9.05754 15.9524 9.23153 5.53308 6.99002 15.9568 numMergedOcc 0
37 mol 220 unq 2 iso 0 dist 9.05754 10.0641 8.24498 9.9115 6.84247 6.05129 numMergedOcc 0
38 mol 220 unq 3 iso 0 dist 9.05754 10.0641 8.24498 5.53308 6.99002 11.1321 numMergedOcc 0
39 mol 220 unq 4 iso 0 dist 5.07968 4.58603 9.41367 6.32132 7.61951 7.08796 numMergedOcc 0
40 mol 222 unq 0 iso 0 dist 8.81925 9.75789 8.01589 4.95108 6.82208 4.8892 numMergedOcc 0
41 mol 222 unq 1 iso 0 dist 8.81925 12.7799 7.7699 4.95108 6.82208 11.0074 numMergedOcc 0
42 mol 222 unq 2 iso 0 dist 8.81925 12.5625 7.21333 4.95108 6.82208 12.2813 numMergedOcc 0
43 mol 234 unq 0 iso 0 dist 8.58958 16.0172 8.34494 6.99882 6.25105 10.3337 numMergedOcc 0
44 mol 234 unq 1 iso 0 dist 8.58958 14.7629 6.56247 6.99882 6.25105 11.216 numMergedOcc 0
45 mol 234 unq 2 iso 0 dist 8.58958 13.5847 9.36357 6.99882 6.25105 11.4315 numMergedOcc 0
46 mol 234 unq 3 iso 0 dist 9.70004 10.9359 8.34494 7.22134 6.25105 10.3337 numMergedOcc 0
47 mol 234 unq 4 iso 0 dist 9.70004 14.3229 6.56247 7.22134 6.25105 11.216 numMergedOcc 0
48 mol 234 unq 5 iso 0 dist 9.70004 17.5883 9.36357 7.22134 6.25105 11.4315 numMergedOcc 0
49 mol 234 unq 6 iso 0 dist 7.17987 14.7629 9.45496 5.04225 9.5707 15.9563 numMergedOcc 0
50 mol 234 unq 7 iso 0 dist 7.17987 14.7629 9.45496 6.99882 7.85175 11.216 numMergedOcc 0
51 mol 234 unq 8 iso 0 dist 7.17987 13.5847 6.7625 5.04225 9.5707 14.4106 numMergedOcc 0
52 mol 234 unq 9 iso 0 dist 7.17987 13.5847 6.7625 6.99882 7.85175 11.4315 numMergedOcc 0
53 mol 236 unq 0 iso 0 dist 6.0087 11.2678 8.03456 9.3775 7.17676 11.8759 numMergedOcc 0
54 mol 236 unq 1 iso 0 dist 6.0087 11.2678 8.03456 4.59056 6.68463 9.07822 numMergedOcc 0
55 mol 236 unq 2 iso 0 dist 6.0087 12.338 6.84306 9.3775 7.17676 11.3552 numMergedOcc 0
56 mol 236 unq 3 iso 0 dist 6.0087 12.338 6.84306 4.59056 6.68463 11.6837 numMergedOcc 0
57 mol 236 unq 4 iso 0 dist 6.0087 12.431 9.99038 9.3775 7.17676 6.04825 numMergedOcc 0
58 mol 236 unq 5 iso 0 dist 6.0087 12.431 9.99038 4.59056 6.68463 8.8265 numMergedOcc 0
59 mol 236 unq 6 iso 0 dist 6.0087 8.71933 9.78037 9.3775 7.17676 12.6468 numMergedOcc 0
60 mol 236 unq 7 iso 0 dist 6.0087 8.71933 9.78037 4.59056 6.68463 5.80136 numMergedOcc 0
61 mol 236 unq 8 iso 0 dist 6.0087 5.81354 8.35971 9.3775 7.17676 6.40312 numMergedOcc 0
62 mol 236 unq 9 iso 0 dist 6.0087 5.81354 8.35971 4.59056 6.68463 6.2568 numMergedOcc 0
63 mol 238 unq 0 iso 0 dist 9.94587 4.3284 6.57393 12.3467 6.91569 10.9761 numMergedOcc 0
64 mol 249 unq 0 iso 0 dist 9.14351 12.1004 7.57994 9.45521 8.83735 5.23473 numMergedOcc 0
65 mol 249 unq 1 iso 0 dist 9.14351 9.40115 6.18582 9.45521 8.83735 7.38675 numMergedOcc 0
66 mol 253 unq 0 iso 0 dist 9.75753 15.0268 9.02271 12.2787 7.19465 7.92528 numMergedOcc 0
67 mol 276 unq 0 iso 0 dist 6.97104 12.2532 9.8993 9.95978 8.76347 7.54851 numMergedOcc 0
68 mol 276 unq 1 iso 0 dist 6.97104 5.58984 6.87396 9.95978 8.76347 6.4102 numMergedOcc 0
69 mol 276 unq 2 iso 0 dist 8.63281 12.388 9.8993 12.5917 8.76347 7.54851 numMergedOcc 0
70 mol 276 unq 3 iso 0 dist 8.63281 6.58819 6.87396 12.5917 8.76347 6.4102 numMergedOcc 0
71 mol 277 unq 0 iso 0 dist 6.86014 4.83355 9.7748 6.60083 9.41725 6.58374 numMergedOcc 0
72 mol 277 unq 1 iso 0 dist 5.97073 11.2857 9.7748 10.5543 9.41725 6.58374 numMergedOcc 0
73 mol 277 unq 2 iso 0 dist 6.49176 14.4976 9.7748 14.6973 9.41725 6.58374 numMergedOcc 0
74 mol 278 unq 0 iso 0 dist 8.62414 12.2316 8.44326 13.9754 6.35287 6.07447 numMergedOcc 0
