0 mol 25 unq 0 iso 0 dist 8.46842 13.3513 7.57578 14.4516 7.17969 4.33106 numMergedOcc 0
1 mol 25 unq 0 iso 1 dist 8.46842 14.4516 7.17969 13.3513 7.57578 4.33106 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 6.96797 5.84852 7.2846 6.5822 7.58835 8.81358 numMergedOcc 0
3 mol 45 unq 0 iso 1 dist 6.96797 6.5822 7.58835 5.84852 7.2846 8.81358 numMergedOcc 0
4 mol 52 unq 0 iso 0 dist 8.52979 11.4352 9.80098 14.6092 7.34143 9.162 numMergedOcc 0
5 mol 52 unq 0 iso 1 dist 8.52979 14.6092 7.34143 11.4352 9.80098 9.162 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 6.47132 9.86595 7.17396 10.2137 9.21998 6.05545 numMergedOcc 0
7 mol 59 unq 0 iso 1 dist 6.47132 10.2137 9.21998 9.86595 7.17396 6.05545 numMergedOcc 0
8 mol 88 unq 0 iso 0 dist 8.71603 9.86323 9.36773 5.3018 8.31336 5.57085 numMergedOcc 0
9 mol 88 unq 0 iso 1 dist 8.71603 5.3018 8.31336 9.86323 9.36773 5.57085 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 8.06457 4.165 7.88289 7.84998 9.01083 8.18643 numMergedOcc 0
11 mol 95 unq 0 iso 1 dist 8.06457 7.84998 9.01083 4.165 7.88289 8.18643 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 6.5136 7.08612 7.27724 11.085 8.03644 8.41707 numMergedOcc 0
13 mol 95 unq 1 iso 1 dist 6.5136 11.085 8.03644 7.08612 7.27724 8.41707 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 7.02792 11.4302 9.35224 6.20162 6.56369 5.88134 numMergedOcc 0
15 mol 100 unq 0 iso 1 dist 7.02792 6.20162 6.56369 11.4302 9.35224 5.88134 numMergedOcc 0
16 mol 117 unq 0 iso 0 dist 8.98848 14.6144 7.90328 10.0436 7.83136 7.22206 numMergedOcc 0
17 mol 117 unq 0 iso 1 dist 8.98848 10.0436 7.83136 14.6144 7.90328 7.22206 numMergedOcc 0
18 mol 117 unq 1 iso 0 dist 8.98848 14.6144 7.90328 6.81312 7.0603 9.3584 numMergedOcc 0
19 mol 117 unq 1 iso 1 dist 8.98848 6.81312 7.0603 14.6144 7.90328 9.3584 numMergedOcc 0
20 mol 117 unq 1 iso 0 dist 8.98848 10.0436 7.83136 6.81312 7.0603 7.21564 numMergedOcc 0
21 mol 117 unq 1 iso 1 dist 8.98848 6.81312 7.0603 10.0436 7.83136 7.21564 numMergedOcc 0
22 mol 120 unq 0 iso 0 dist 9.41521 11.2541 8.75408 8.90504 6.44653 5.23036 numMergedOcc 0
23 mol 120 unq 0 iso 1 dist 9.41521 8.90504 6.44653 11.2541 8.75408 5.23036 numMergedOcc 0
24 mol 129 unq 0 iso 0 dist 9.06272 8.2292 9.61051 10.7142 5.83384 9.05135 numMergedOcc 0
25 mol 129 unq 0 iso 1 dist 9.06272 10.7142 5.83384 8.2292 9.61051 9.05135 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 7.85025 4.26332 6.29155 11.5948 6.80239 7.81217 numMergedOcc 0
27 mol 133 unq 0 iso 1 dist 7.85025 11.5948 6.80239 4.26332 6.29155 7.81217 numMergedOcc 0
28 mol 133 unq 1 iso 0 dist 7.85025 4.26332 6.29155 13.8058 8.00618 11.965 numMergedOcc 0
29 mol 133 unq 1 iso 1 dist 7.85025 13.8058 8.00618 4.26332 6.29155 11.965 numMergedOcc 0
30 mol 133 unq 1 iso 0 dist 7.85025 11.5948 6.80239 13.8058 8.00618 7.79672 numMergedOcc 0
31 mol 133 unq 1 iso 1 dist 7.85025 13.8058 8.00618 11.5948 6.80239 7.79672 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 8.5778 10.2414 6.54501 13.5276 6.49416 5.00526 numMergedOcc 0
33 mol 134 unq 0 iso 1 dist 8.5778 13.5276 6.49416 10.2414 6.54501 5.00526 numMergedOcc 0
34 mol 142 unq 0 iso 0 dist 6.91573 12.444 9.2313 7.18287 5.31024 5.32922 numMergedOcc 0
35 mol 142 unq 0 iso 1 dist 6.91573 7.18287 5.31024 12.444 9.2313 5.32922 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 8.58465 10.9291 9.70748 6.37463 7.54065 13.8792 numMergedOcc 0
37 mol 186 unq 0 iso 1 dist 8.58465 6.37463 7.54065 10.9291 9.70748 13.8792 numMergedOcc 0
38 mol 186 unq 1 iso 0 dist 8.58465 10.9291 9.70748 5.22923 8.87694 14.9058 numMergedOcc 0
39 mol 186 unq 1 iso 1 dist 8.58465 5.22923 8.87694 10.9291 9.70748 14.9058 numMergedOcc 0
40 mol 186 unq 1 iso 0 dist 8.58465 6.37463 7.54065 5.22923 8.87694 5.74635 numMergedOcc 0
41 mol 186 unq 1 iso 1 dist 8.58465 5.22923 8.87694 6.37463 7.54065 5.74635 numMergedOcc 0
42 mol 204 unq 0 iso 0 dist 9.65951 11.5989 7.10633 9.99471 8.51516 10.8344 numMergedOcc 0
43 mol 204 unq 0 iso 1 dist 9.65951 9.99471 8.51516 11.5989 7.10633 10.8344 numMergedOcc 0
44 mol 204 unq 1 iso 0 dist 9.14829 6.73339 7.10633 13.2127 8.51516 10.8344 numMergedOcc 0
45 mol 204 unq 1 iso 1 dist 9.14829 13.2127 8.51516 6.73339 7.10633 10.8344 numMergedOcc 0
46 mol 214 unq 0 iso 0 dist 9.33638 15.9383 9.65138 7.31241 7.14453 9.10746 numMergedOcc 0
47 mol 214 unq 0 iso 1 dist 9.33638 7.31241 7.14453 15.9383 9.65138 9.10746 numMergedOcc 0
48 mol 214 unq 1 iso 0 dist 9.33638 15.9383 9.65138 17.0758 8.85478 4.40923 numMergedOcc 0
49 mol 214 unq 1 iso 1 dist 9.33638 17.0758 8.85478 15.9383 9.65138 4.40923 numMergedOcc 0
50 mol 214 unq 1 iso 0 dist 9.33638 7.31241 7.14453 17.0758 8.85478 11.3796 numMergedOcc 0
51 mol 214 unq 1 iso 1 dist 9.33638 17.0758 8.85478 7.31241 7.14453 11.3796 numMergedOcc 0
52 mol 220 unq 0 iso 0 dist 9.05754 15.9524 9.23153 10.0641 8.24498 10.5449 numMergedOcc 0
53 mol 220 unq 0 iso 1 dist 9.05754 10.0641 8.24498 15.9524 9.23153 10.5449 numMergedOcc 0
54 mol 222 unq 0 iso 0 dist 8.81925 9.75789 8.01589 12.7799 7.7699 10.4579 numMergedOcc 0
55 mol 222 unq 0 iso 1 dist 8.81925 12.7799 7.7699 9.75789 8.01589 10.4579 numMergedOcc 0
56 mol 222 unq 1 iso 0 dist 8.81925 9.75789 8.01589 12.5625 7.21333 13.3522 numMergedOcc 0
57 mol 222 unq 1 iso 1 dist 8.81925 12.5625 7.21333 9.75789 8.01589 13.3522 numMergedOcc 0
58 mol 222 unq 1 iso 0 dist 8.81925 12.7799 7.7699 12.5625 7.21333 5.24516 numMergedOcc 0
59 mol 222 unq 1 iso 1 dist 8.81925 12.5625 7.21333 12.7799 7.7699 5.24516 numMergedOcc 0
60 mol 229 unq 0 iso 0 dist 9.68636 10.705 8.22528 5.6419 7.03423 5.57838 numMergedOcc 0
61 mol 229 unq 0 iso 1 dist 9.68636 5.6419 7.03423 10.705 8.22528 5.57838 numMergedOcc 0
62 mol 234 unq 0 iso 0 dist 8.58958 16.0172 8.34494 14.7629 6.56247 6.29886 numMergedOcc 0
63 mol 234 unq 0 iso 1 dist 8.58958 14.7629 6.56247 16.0172 8.34494 6.29886 numMergedOcc 0
64 mol 234 unq 1 iso 0 dist 8.58958 16.0172 8.34494 13.5847 9.36357 12.1694 numMergedOcc 0
65 mol 234 unq 1 iso 1 dist 8.58958 13.5847 9.36357 16.0172 8.34494 12.1694 numMergedOcc 0
66 mol 234 unq 1 iso 0 dist 8.58958 14.7629 6.56247 13.5847 9.36357 7.82322 numMergedOcc 0
67 mol 234 unq 1 iso 1 dist 8.58958 13.5847 9.36357 14.7629 6.56247 7.82322 numMergedOcc 0
68 mol 234 unq 2 iso 0 dist 9.70004 10.9359 8.34494 14.3229 6.56247 6.29886 numMergedOcc 0
69 mol 234 unq 2 iso 1 dist 9.70004 14.3229 6.56247 10.9359 8.34494 6.29886 numMergedOcc 0
70 mol 234 unq 3 iso 0 dist 9.70004 10.9359 8.34494 17.5883 9.36357 12.1694 numMergedOcc 0
71 mol 234 unq 3 iso 1 dist 9.70004 17.5883 9.36357 10.9359 8.34494 12.1694 numMergedOcc 0
72 mol 234 unq 3 iso 0 dist 9.70004 14.3229 6.56247 17.5883 9.36357 7.82322 numMergedOcc 0
73 mol 234 unq 3 iso 1 dist 9.70004 17.5883 9.36357 14.3229 6.56247 7.82322 numMergedOcc 0
74 mol 234 unq 4 iso 0 dist 7.17987 14.7629 9.45496 13.5847 6.7625 7.82322 numMergedOcc 0
75 mol 234 unq 4 iso 1 dist 7.17987 13.5847 6.7625 14.7629 9.45496 7.82322 numMergedOcc 0
76 mol 234 unq 5 iso 0 dist 9.5181 9.15708 9.36357 4.94699 6.7625 5.88703 numMergedOcc 0
77 mol 234 unq 5 iso 1 dist 9.5181 4.94699 6.7625 9.15708 9.36357 5.88703 numMergedOcc 0
78 mol 236 unq 0 iso 0 dist 6.0087 11.2678 8.03456 12.338 6.84306 5.79505 numMergedOcc 0
79 mol 236 unq 0 iso 1 dist 6.0087 12.338 6.84306 11.2678 8.03456 5.79505 numMergedOcc 0
80 mol 236 unq 1 iso 0 dist 6.0087 11.2678 8.03456 12.431 9.99038 9.90963 numMergedOcc 0
81 mol 236 unq 1 iso 1 dist 6.0087 12.431 9.99038 11.2678 8.03456 9.90963 numMergedOcc 0
82 mol 236 unq 2 iso 0 dist 6.0087 11.2678 8.03456 8.71933 9.78037 6.96005 numMergedOcc 0
83 mol 236 unq 2 iso 1 dist 6.0087 8.71933 9.78037 11.2678 8.03456 6.96005 numMergedOcc 0
84 mol 236 unq 3 iso 0 dist 6.0087 11.2678 8.03456 5.81354 8.35971 14.2337 numMergedOcc 0
85 mol 236 unq 3 iso 1 dist 6.0087 5.81354 8.35971 11.2678 8.03456 14.2337 numMergedOcc 0
86 mol 236 unq 1 iso 0 dist 6.0087 12.338 6.84306 12.431 9.99038 11.3368 numMergedOcc 0
87 mol 236 unq 1 iso 1 dist 6.0087 12.431 9.99038 12.338 6.84306 11.3368 numMergedOcc 0
88 mol 236 unq 2 iso 0 dist 6.0087 12.338 6.84306 8.71933 9.78037 11.8739 numMergedOcc 0
89 mol 236 unq 2 iso 1 dist 6.0087 8.71933 9.78037 12.338 6.84306 11.8739 numMergedOcc 0
90 mol 236 unq 3 iso 0 dist 6.0087 12.338 6.84306 5.81354 8.35971 14.7998 numMergedOcc 0
91 mol 236 unq 3 iso 1 dist 6.0087 5.81354 8.35971 12.338 6.84306 14.7998 numMergedOcc 0
92 mol 236 unq 2 iso 0 dist 6.0087 12.431 9.99038 8.71933 9.78037 11.1557 numMergedOcc 0
93 mol 236 unq 2 iso 1 dist 6.0087 8.71933 9.78037 12.431 9.99038 11.1557 numMergedOcc 0
94 mol 236 unq 3 iso 0 dist 6.0087 12.431 9.99038 5.81354 8.35971 10.7497 numMergedOcc 0
95 mol 236 unq 3 iso 1 dist 6.0087 5.81354 8.35971 12.431 9.99038 10.7497 numMergedOcc 0
96 mol 236 unq 3 iso 0 dist 6.0087 8.71933 9.78037 5.81354 8.35971 12.0369 numMergedOcc 0
97 mol 236 unq 3 iso 1 dist 6.0087 5.81354 8.35971 8.71933 9.78037 12.0369 numMergedOcc 0
98 mol 238 unq 0 iso 0 dist 9.09166 6.74773 6.22714 9.48707 7.31233 5.34096 numMergedOcc 0
99 mol 238 unq 0 iso 1 dist 9.09166 9.48707 7.31233 6.74773 6.22714 5.34096 numMergedOcc 0
100 mol 249 unq 0 iso 0 dist 9.14351 12.1004 7.57994 9.40115 6.18582 5.01979 numMergedOcc 0
101 mol 249 unq 0 iso 1 dist 9.14351 9.40115 6.18582 12.1004 7.57994 5.01979 numMergedOcc 0
102 mol 276 unq 0 iso 0 dist 6.97104 12.2532 9.8993 5.58984 6.87396 6.88557 numMergedOcc 0
103 mol 276 unq 0 iso 1 dist 6.97104 5.58984 6.87396 12.2532 9.8993 6.88557 numMergedOcc 0
104 mol 276 unq 1 iso 0 dist 8.63281 12.388 9.8993 6.58819 6.87396 6.88557 numMergedOcc 0
105 mol 276 unq 1 iso 1 dist 8.63281 6.58819 6.87396 12.388 9.8993 6.88557 numMergedOcc 0
