0 mol 45 unq 0 iso 0 dist 6.96797 5.84852 7.2846 6.5822 7.58835 8.81358 7.06216 6.34173 4.71384 5.67689 numMergedOcc 0
1 mol 45 unq 0 iso 1 dist 6.96797 6.5822 7.58835 5.84852 7.2846 8.81358 7.06216 6.34173 5.67689 4.71384 numMergedOcc 0
2 mol 52 unq 0 iso 0 dist 8.52979 11.4352 9.80098 14.6092 7.34143 9.162 13.1241 7.18176 5.93337 4.5482 numMergedOcc 0
3 mol 52 unq 0 iso 1 dist 8.52979 14.6092 7.34143 11.4352 9.80098 9.162 13.1241 7.18176 4.5482 5.93337 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 8.71603 9.86323 9.36773 5.3018 8.31336 5.57085 11.6458 9.2603 6.95868 6.97239 numMergedOcc 0
5 mol 88 unq 0 iso 1 dist 8.71603 5.3018 8.31336 9.86323 9.36773 5.57085 11.6458 9.2603 6.97239 6.95868 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 8.5778 10.2414 6.54501 13.5276 6.49416 5.00526 17.082 8.6355 10.1448 5.41704 numMergedOcc 0
7 mol 134 unq 0 iso 1 dist 8.5778 13.5276 6.49416 10.2414 6.54501 5.00526 17.082 8.6355 5.41704 10.1448 numMergedOcc 0
8 mol 204 unq 0 iso 0 dist 9.65951 11.5989 7.10633 9.99471 8.51516 10.8344 10.8926 5.90931 5.09262 12.9483 numMergedOcc 0
9 mol 204 unq 0 iso 1 dist 9.65951 9.99471 8.51516 11.5989 7.10633 10.8344 10.8926 5.90931 12.9483 5.09262 numMergedOcc 0
10 mol 204 unq 1 iso 0 dist 9.14829 6.73339 7.10633 13.2127 8.51516 10.8344 5.63477 5.90931 5.09262 12.9483 numMergedOcc 0
11 mol 204 unq 1 iso 1 dist 9.14829 13.2127 8.51516 6.73339 7.10633 10.8344 5.63477 5.90931 12.9483 5.09262 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 9.33638 15.9383 9.65138 7.31241 7.14453 9.10746 11.401 6.97182 6.16485 5.33565 numMergedOcc 0
13 mol 214 unq 0 iso 1 dist 9.33638 7.31241 7.14453 15.9383 9.65138 9.10746 11.401 6.97182 5.33565 6.16485 numMergedOcc 0
14 mol 214 unq 1 iso 0 dist 9.33638 15.9383 9.65138 7.31241 7.14453 9.10746 6.39677 6.1175 11.5712 5.06792 numMergedOcc 0
15 mol 214 unq 1 iso 1 dist 9.33638 7.31241 7.14453 15.9383 9.65138 9.10746 6.39677 6.1175 5.06792 11.5712 numMergedOcc 0
16 mol 214 unq 2 iso 0 dist 9.33638 15.9383 9.65138 17.0758 8.85478 4.40923 11.401 6.97182 6.16485 8.47007 numMergedOcc 0
17 mol 214 unq 2 iso 1 dist 9.33638 17.0758 8.85478 15.9383 9.65138 4.40923 11.401 6.97182 8.47007 6.16485 numMergedOcc 0
18 mol 214 unq 3 iso 0 dist 9.33638 15.9383 9.65138 17.0758 8.85478 4.40923 6.39677 6.1175 11.5712 12.8334 numMergedOcc 0
19 mol 214 unq 3 iso 1 dist 9.33638 17.0758 8.85478 15.9383 9.65138 4.40923 6.39677 6.1175 12.8334 11.5712 numMergedOcc 0
20 mol 214 unq 2 iso 0 dist 9.33638 7.31241 7.14453 17.0758 8.85478 11.3796 11.401 6.97182 5.33565 8.47007 numMergedOcc 0
21 mol 214 unq 2 iso 1 dist 9.33638 17.0758 8.85478 7.31241 7.14453 11.3796 11.401 6.97182 8.47007 5.33565 numMergedOcc 0
22 mol 214 unq 3 iso 0 dist 9.33638 7.31241 7.14453 17.0758 8.85478 11.3796 6.39677 6.1175 5.06792 12.8334 numMergedOcc 0
23 mol 214 unq 3 iso 1 dist 9.33638 17.0758 8.85478 7.31241 7.14453 11.3796 6.39677 6.1175 12.8334 5.06792 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 9.05754 15.9524 9.23153 10.0641 8.24498 10.5449 9.9115 6.84247 6.7067 6.05129 numMergedOcc 0
25 mol 220 unq 0 iso 1 dist 9.05754 10.0641 8.24498 15.9524 9.23153 10.5449 9.9115 6.84247 6.05129 6.7067 numMergedOcc 0
26 mol 220 unq 1 iso 0 dist 9.05754 15.9524 9.23153 10.0641 8.24498 10.5449 5.53308 6.99002 15.9568 11.1321 numMergedOcc 0
27 mol 220 unq 1 iso 1 dist 9.05754 10.0641 8.24498 15.9524 9.23153 10.5449 5.53308 6.99002 11.1321 15.9568 numMergedOcc 0
28 mol 222 unq 0 iso 0 dist 8.81925 9.75789 8.01589 12.7799 7.7699 10.4579 4.95108 6.82208 4.8892 11.0074 numMergedOcc 0
29 mol 222 unq 0 iso 1 dist 8.81925 12.7799 7.7699 9.75789 8.01589 10.4579 4.95108 6.82208 11.0074 4.8892 numMergedOcc 0
30 mol 222 unq 1 iso 0 dist 8.81925 9.75789 8.01589 12.5625 7.21333 13.3522 4.95108 6.82208 4.8892 12.2813 numMergedOcc 0
31 mol 222 unq 1 iso 1 dist 8.81925 12.5625 7.21333 9.75789 8.01589 13.3522 4.95108 6.82208 12.2813 4.8892 numMergedOcc 0
32 mol 222 unq 1 iso 0 dist 8.81925 12.7799 7.7699 12.5625 7.21333 5.24516 4.95108 6.82208 11.0074 12.2813 numMergedOcc 0
33 mol 222 unq 1 iso 1 dist 8.81925 12.5625 7.21333 12.7799 7.7699 5.24516 4.95108 6.82208 12.2813 11.0074 numMergedOcc 0
34 mol 234 unq 0 iso 0 dist 8.58958 16.0172 8.34494 14.7629 6.56247 6.29886 6.99882 6.25105 10.3337 11.216 numMergedOcc 0
35 mol 234 unq 0 iso 1 dist 8.58958 14.7629 6.56247 16.0172 8.34494 6.29886 6.99882 6.25105 11.216 10.3337 numMergedOcc 0
36 mol 234 unq 1 iso 0 dist 8.58958 16.0172 8.34494 13.5847 9.36357 12.1694 6.99882 6.25105 10.3337 11.4315 numMergedOcc 0
37 mol 234 unq 1 iso 1 dist 8.58958 13.5847 9.36357 16.0172 8.34494 12.1694 6.99882 6.25105 11.4315 10.3337 numMergedOcc 0
38 mol 234 unq 1 iso 0 dist 8.58958 14.7629 6.56247 13.5847 9.36357 7.82322 6.99882 6.25105 11.216 11.4315 numMergedOcc 0
39 mol 234 unq 1 iso 1 dist 8.58958 13.5847 9.36357 14.7629 6.56247 7.82322 6.99882 6.25105 11.4315 11.216 numMergedOcc 0
40 mol 234 unq 2 iso 0 dist 9.70004 10.9359 8.34494 14.3229 6.56247 6.29886 7.22134 6.25105 10.3337 11.216 numMergedOcc 0
41 mol 234 unq 2 iso 1 dist 9.70004 14.3229 6.56247 10.9359 8.34494 6.29886 7.22134 6.25105 11.216 10.3337 numMergedOcc 0
42 mol 234 unq 3 iso 0 dist 9.70004 10.9359 8.34494 17.5883 9.36357 12.1694 7.22134 6.25105 10.3337 11.4315 numMergedOcc 0
43 mol 234 unq 3 iso 1 dist 9.70004 17.5883 9.36357 10.9359 8.34494 12.1694 7.22134 6.25105 11.4315 10.3337 numMergedOcc 0
44 mol 234 unq 3 iso 0 dist 9.70004 14.3229 6.56247 17.5883 9.36357 7.82322 7.22134 6.25105 11.216 11.4315 numMergedOcc 0
45 mol 234 unq 3 iso 1 dist 9.70004 17.5883 9.36357 14.3229 6.56247 7.82322 7.22134 6.25105 11.4315 11.216 numMergedOcc 0
46 mol 234 unq 4 iso 0 dist 7.17987 14.7629 9.45496 13.5847 6.7625 7.82322 5.04225 9.5707 15.9563 14.4106 numMergedOcc 0
47 mol 234 unq 4 iso 1 dist 7.17987 13.5847 6.7625 14.7629 9.45496 7.82322 5.04225 9.5707 14.4106 15.9563 numMergedOcc 0
48 mol 234 unq 5 iso 0 dist 7.17987 14.7629 9.45496 13.5847 6.7625 7.82322 6.99882 7.85175 11.216 11.4315 numMergedOcc 0
49 mol 234 unq 5 iso 1 dist 7.17987 13.5847 6.7625 14.7629 9.45496 7.82322 6.99882 7.85175 11.4315 11.216 numMergedOcc 0
50 mol 236 unq 0 iso 0 dist 6.0087 11.2678 8.03456 12.338 6.84306 5.79505 9.3775 7.17676 11.8759 11.3552 numMergedOcc 0
51 mol 236 unq 0 iso 1 dist 6.0087 12.338 6.84306 11.2678 8.03456 5.79505 9.3775 7.17676 11.3552 11.8759 numMergedOcc 0
52 mol 236 unq 1 iso 0 dist 6.0087 11.2678 8.03456 12.338 6.84306 5.79505 4.59056 6.68463 9.07822 11.6837 numMergedOcc 0
53 mol 236 unq 1 iso 1 dist 6.0087 12.338 6.84306 11.2678 8.03456 5.79505 4.59056 6.68463 11.6837 9.07822 numMergedOcc 0
54 mol 236 unq 2 iso 0 dist 6.0087 11.2678 8.03456 12.431 9.99038 9.90963 9.3775 7.17676 11.8759 6.04825 numMergedOcc 0
55 mol 236 unq 2 iso 1 dist 6.0087 12.431 9.99038 11.2678 8.03456 9.90963 9.3775 7.17676 6.04825 11.8759 numMergedOcc 0
56 mol 236 unq 3 iso 0 dist 6.0087 11.2678 8.03456 12.431 9.99038 9.90963 4.59056 6.68463 9.07822 8.8265 numMergedOcc 0
57 mol 236 unq 3 iso 1 dist 6.0087 12.431 9.99038 11.2678 8.03456 9.90963 4.59056 6.68463 8.8265 9.07822 numMergedOcc 0
58 mol 236 unq 4 iso 0 dist 6.0087 11.2678 8.03456 8.71933 9.78037 6.96005 9.3775 7.17676 11.8759 12.6468 numMergedOcc 0
59 mol 236 unq 4 iso 1 dist 6.0087 8.71933 9.78037 11.2678 8.03456 6.96005 9.3775 7.17676 12.6468 11.8759 numMergedOcc 0
60 mol 236 unq 5 iso 0 dist 6.0087 11.2678 8.03456 8.71933 9.78037 6.96005 4.59056 6.68463 9.07822 5.80136 numMergedOcc 0
61 mol 236 unq 5 iso 1 dist 6.0087 8.71933 9.78037 11.2678 8.03456 6.96005 4.59056 6.68463 5.80136 9.07822 numMergedOcc 0
62 mol 236 unq 6 iso 0 dist 6.0087 11.2678 8.03456 5.81354 8.35971 14.2337 9.3775 7.17676 11.8759 6.40312 numMergedOcc 0
63 mol 236 unq 6 iso 1 dist 6.0087 5.81354 8.35971 11.2678 8.03456 14.2337 9.3775 7.17676 6.40312 11.8759 numMergedOcc 0
64 mol 236 unq 7 iso 0 dist 6.0087 11.2678 8.03456 5.81354 8.35971 14.2337 4.59056 6.68463 9.07822 6.2568 numMergedOcc 0
65 mol 236 unq 7 iso 1 dist 6.0087 5.81354 8.35971 11.2678 8.03456 14.2337 4.59056 6.68463 6.2568 9.07822 numMergedOcc 0
66 mol 236 unq 2 iso 0 dist 6.0087 12.338 6.84306 12.431 9.99038 11.3368 9.3775 7.17676 11.3552 6.04825 numMergedOcc 0
67 mol 236 unq 2 iso 1 dist 6.0087 12.431 9.99038 12.338 6.84306 11.3368 9.3775 7.17676 6.04825 11.3552 numMergedOcc 0
68 mol 236 unq 3 iso 0 dist 6.0087 12.338 6.84306 12.431 9.99038 11.3368 4.59056 6.68463 11.6837 8.8265 numMergedOcc 0
69 mol 236 unq 3 iso 1 dist 6.0087 12.431 9.99038 12.338 6.84306 11.3368 4.59056 6.68463 8.8265 11.6837 numMergedOcc 0
70 mol 236 unq 4 iso 0 dist 6.0087 12.338 6.84306 8.71933 9.78037 11.8739 9.3775 7.17676 11.3552 12.6468 numMergedOcc 0
71 mol 236 unq 4 iso 1 dist 6.0087 8.71933 9.78037 12.338 6.84306 11.8739 9.3775 7.17676 12.6468 11.3552 numMergedOcc 0
72 mol 236 unq 5 iso 0 dist 6.0087 12.338 6.84306 8.71933 9.78037 11.8739 4.59056 6.68463 11.6837 5.80136 numMergedOcc 0
73 mol 236 unq 5 iso 1 dist 6.0087 8.71933 9.78037 12.338 6.84306 11.8739 4.59056 6.68463 5.80136 11.6837 numMergedOcc 0
74 mol 236 unq 6 iso 0 dist 6.0087 12.338 6.84306 5.81354 8.35971 14.7998 9.3775 7.17676 11.3552 6.40312 numMergedOcc 0
75 mol 236 unq 6 iso 1 dist 6.0087 5.81354 8.35971 12.338 6.84306 14.7998 9.3775 7.17676 6.40312 11.3552 numMergedOcc 0
76 mol 236 unq 7 iso 0 dist 6.0087 12.338 6.84306 5.81354 8.35971 14.7998 4.59056 6.68463 11.6837 6.2568 numMergedOcc 0
77 mol 236 unq 7 iso 1 dist 6.0087 5.81354 8.35971 12.338 6.84306 14.7998 4.59056 6.68463 6.2568 11.6837 numMergedOcc 0
78 mol 236 unq 4 iso 0 dist 6.0087 12.431 9.99038 8.71933 9.78037 11.1557 9.3775 7.17676 6.04825 12.6468 numMergedOcc 0
79 mol 236 unq 4 iso 1 dist 6.0087 8.71933 9.78037 12.431 9.99038 11.1557 9.3775 7.17676 12.6468 6.04825 numMergedOcc 0
80 mol 236 unq 5 iso 0 dist 6.0087 12.431 9.99038 8.71933 9.78037 11.1557 4.59056 6.68463 8.8265 5.80136 numMergedOcc 0
81 mol 236 unq 5 iso 1 dist 6.0087 8.71933 9.78037 12.431 9.99038 11.1557 4.59056 6.68463 5.80136 8.8265 numMergedOcc 0
82 mol 236 unq 6 iso 0 dist 6.0087 12.431 9.99038 5.81354 8.35971 10.7497 9.3775 7.17676 6.04825 6.40312 numMergedOcc 0
83 mol 236 unq 6 iso 1 dist 6.0087 5.81354 8.35971 12.431 9.99038 10.7497 9.3775 7.17676 6.40312 6.04825 numMergedOcc 0
84 mol 236 unq 7 iso 0 dist 6.0087 12.431 9.99038 5.81354 8.35971 10.7497 4.59056 6.68463 8.8265 6.2568 numMergedOcc 0
85 mol 236 unq 7 iso 1 dist 6.0087 5.81354 8.35971 12.431 9.99038 10.7497 4.59056 6.68463 6.2568 8.8265 numMergedOcc 0
86 mol 236 unq 6 iso 0 dist 6.0087 8.71933 9.78037 5.81354 8.35971 12.0369 9.3775 7.17676 12.6468 6.40312 numMergedOcc 0
87 mol 236 unq 6 iso 1 dist 6.0087 5.81354 8.35971 8.71933 9.78037 12.0369 9.3775 7.17676 6.40312 12.6468 numMergedOcc 0
88 mol 236 unq 7 iso 0 dist 6.0087 8.71933 9.78037 5.81354 8.35971 12.0369 4.59056 6.68463 5.80136 6.2568 numMergedOcc 0
89 mol 236 unq 7 iso 1 dist 6.0087 5.81354 8.35971 8.71933 9.78037 12.0369 4.59056 6.68463 6.2568 5.80136 numMergedOcc 0
90 mol 249 unq 0 iso 0 dist 9.14351 12.1004 7.57994 9.40115 6.18582 5.01979 9.45521 8.83735 5.23473 7.38675 numMergedOcc 0
91 mol 249 unq 0 iso 1 dist 9.14351 9.40115 6.18582 12.1004 7.57994 5.01979 9.45521 8.83735 7.38675 5.23473 numMergedOcc 0
92 mol 276 unq 0 iso 0 dist 6.97104 12.2532 9.8993 5.58984 6.87396 6.88557 9.95978 8.76347 7.54851 6.4102 numMergedOcc 0
93 mol 276 unq 0 iso 1 dist 6.97104 5.58984 6.87396 12.2532 9.8993 6.88557 9.95978 8.76347 6.4102 7.54851 numMergedOcc 0
94 mol 276 unq 1 iso 0 dist 8.63281 12.388 9.8993 6.58819 6.87396 6.88557 12.5917 8.76347 7.54851 6.4102 numMergedOcc 0
95 mol 276 unq 1 iso 1 dist 8.63281 6.58819 6.87396 12.388 9.8993 6.88557 12.5917 8.76347 6.4102 7.54851 numMergedOcc 0
