0 mol 25 unq 0 iso 0 dist 8.46842 10.5274 8.40051 13.3513 7.57578 13.466 14.4516 7.17969 14.4191 4.33106 numMergedOcc 0
1 mol 25 unq 0 iso 1 dist 8.46842 10.5274 8.40051 14.4516 7.17969 14.4191 13.3513 7.57578 13.466 4.33106 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 6.5136 11.2915 9.65047 7.08612 7.27724 5.33325 11.085 8.03644 5.69671 8.41707 numMergedOcc 0
3 mol 95 unq 0 iso 1 dist 6.5136 11.2915 9.65047 11.085 8.03644 5.69671 7.08612 7.27724 5.33325 8.41707 numMergedOcc 0
4 mol 117 unq 0 iso 0 dist 8.98848 4.82309 6.90827 14.6144 7.90328 10.4485 10.0436 7.83136 5.27151 7.22206 numMergedOcc 0
5 mol 117 unq 0 iso 1 dist 8.98848 4.82309 6.90827 10.0436 7.83136 5.27151 14.6144 7.90328 10.4485 7.22206 numMergedOcc 0
6 mol 117 unq 1 iso 0 dist 8.98848 4.82309 6.90827 14.6144 7.90328 10.4485 6.81312 7.0603 4.45276 9.3584 numMergedOcc 0
7 mol 117 unq 1 iso 1 dist 8.98848 4.82309 6.90827 6.81312 7.0603 4.45276 14.6144 7.90328 10.4485 9.3584 numMergedOcc 0
8 mol 117 unq 1 iso 0 dist 8.98848 4.82309 6.90827 10.0436 7.83136 5.27151 6.81312 7.0603 4.45276 7.21564 numMergedOcc 0
9 mol 117 unq 1 iso 1 dist 8.98848 4.82309 6.90827 6.81312 7.0603 4.45276 10.0436 7.83136 5.27151 7.21564 numMergedOcc 0
10 mol 117 unq 2 iso 0 dist 8.98848 3.47603 8.90977 14.6144 7.90328 13.8755 10.0436 7.83136 10.6616 7.22206 numMergedOcc 0
11 mol 117 unq 2 iso 1 dist 8.98848 3.47603 8.90977 10.0436 7.83136 10.6616 14.6144 7.90328 13.8755 7.22206 numMergedOcc 0
12 mol 117 unq 3 iso 0 dist 8.98848 3.47603 8.90977 14.6144 7.90328 13.8755 6.81312 7.0603 4.98254 9.3584 numMergedOcc 0
13 mol 117 unq 3 iso 1 dist 8.98848 3.47603 8.90977 6.81312 7.0603 4.98254 14.6144 7.90328 13.8755 9.3584 numMergedOcc 0
14 mol 117 unq 3 iso 0 dist 8.98848 3.47603 8.90977 10.0436 7.83136 10.6616 6.81312 7.0603 4.98254 7.21564 numMergedOcc 0
15 mol 117 unq 3 iso 1 dist 8.98848 3.47603 8.90977 6.81312 7.0603 4.98254 10.0436 7.83136 10.6616 7.21564 numMergedOcc 0
16 mol 120 unq 0 iso 0 dist 9.41521 9.0362 7.04864 11.2541 8.75408 4.5543 8.90504 6.44653 6.81949 5.23036 numMergedOcc 0
17 mol 120 unq 0 iso 1 dist 9.41521 9.0362 7.04864 8.90504 6.44653 6.81949 11.2541 8.75408 4.5543 5.23036 numMergedOcc 0
18 mol 129 unq 0 iso 0 dist 9.06272 4.02665 6.38163 8.2292 9.61051 8.61575 10.7142 5.83384 10.0961 9.05135 numMergedOcc 0
19 mol 129 unq 0 iso 1 dist 9.06272 4.02665 6.38163 10.7142 5.83384 10.0961 8.2292 9.61051 8.61575 9.05135 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 7.85025 13.039 5.82404 4.26332 6.29155 10.2385 11.5948 6.80239 4.64588 7.81217 numMergedOcc 0
21 mol 133 unq 0 iso 1 dist 7.85025 13.039 5.82404 11.5948 6.80239 4.64588 4.26332 6.29155 10.2385 7.81217 numMergedOcc 0
22 mol 133 unq 1 iso 0 dist 7.85025 13.039 5.82404 4.26332 6.29155 10.2385 13.8058 8.00618 5.37072 11.965 numMergedOcc 0
23 mol 133 unq 1 iso 1 dist 7.85025 13.039 5.82404 13.8058 8.00618 5.37072 4.26332 6.29155 10.2385 11.965 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 7.85025 13.039 5.82404 11.5948 6.80239 4.64588 13.8058 8.00618 5.37072 7.79672 numMergedOcc 0
25 mol 133 unq 1 iso 1 dist 7.85025 13.039 5.82404 13.8058 8.00618 5.37072 11.5948 6.80239 4.64588 7.79672 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 9.33638 16.7561 9.51764 15.9383 9.65138 6.28065 7.31241 7.14453 11.2159 9.10746 numMergedOcc 0
27 mol 214 unq 0 iso 1 dist 9.33638 16.7561 9.51764 7.31241 7.14453 11.2159 15.9383 9.65138 6.28065 9.10746 numMergedOcc 0
28 mol 214 unq 1 iso 0 dist 9.33638 16.7561 9.51764 15.9383 9.65138 6.28065 17.0758 8.85478 6.53326 4.40923 numMergedOcc 0
29 mol 214 unq 1 iso 1 dist 9.33638 16.7561 9.51764 17.0758 8.85478 6.53326 15.9383 9.65138 6.28065 4.40923 numMergedOcc 0
30 mol 214 unq 1 iso 0 dist 9.33638 16.7561 9.51764 7.31241 7.14453 11.2159 17.0758 8.85478 6.53326 11.3796 numMergedOcc 0
31 mol 214 unq 1 iso 1 dist 9.33638 16.7561 9.51764 17.0758 8.85478 6.53326 7.31241 7.14453 11.2159 11.3796 numMergedOcc 0
32 mol 214 unq 2 iso 0 dist 9.33638 5.24733 5.36829 15.9383 9.65138 11.7583 7.31241 7.14453 4.98764 9.10746 numMergedOcc 0
33 mol 214 unq 2 iso 1 dist 9.33638 5.24733 5.36829 7.31241 7.14453 4.98764 15.9383 9.65138 11.7583 9.10746 numMergedOcc 0
34 mol 214 unq 3 iso 0 dist 9.33638 5.24733 5.36829 15.9383 9.65138 11.7583 17.0758 8.85478 12.3481 4.40923 numMergedOcc 0
35 mol 214 unq 3 iso 1 dist 9.33638 5.24733 5.36829 17.0758 8.85478 12.3481 15.9383 9.65138 11.7583 4.40923 numMergedOcc 0
36 mol 214 unq 3 iso 0 dist 9.33638 5.24733 5.36829 7.31241 7.14453 4.98764 17.0758 8.85478 12.3481 11.3796 numMergedOcc 0
37 mol 214 unq 3 iso 1 dist 9.33638 5.24733 5.36829 17.0758 8.85478 12.3481 7.31241 7.14453 4.98764 11.3796 numMergedOcc 0
38 mol 222 unq 0 iso 0 dist 8.81925 9.27187 9.55777 9.75789 8.01589 6.54251 12.7799 7.7699 15.3892 10.4579 numMergedOcc 0
39 mol 222 unq 0 iso 1 dist 8.81925 9.27187 9.55777 12.7799 7.7699 15.3892 9.75789 8.01589 6.54251 10.4579 numMergedOcc 0
40 mol 222 unq 1 iso 0 dist 8.81925 9.27187 9.55777 9.75789 8.01589 6.54251 12.5625 7.21333 16.4881 13.3522 numMergedOcc 0
41 mol 222 unq 1 iso 1 dist 8.81925 9.27187 9.55777 12.5625 7.21333 16.4881 9.75789 8.01589 6.54251 13.3522 numMergedOcc 0
42 mol 222 unq 1 iso 0 dist 8.81925 9.27187 9.55777 12.7799 7.7699 15.3892 12.5625 7.21333 16.4881 5.24516 numMergedOcc 0
43 mol 222 unq 1 iso 1 dist 8.81925 9.27187 9.55777 12.5625 7.21333 16.4881 12.7799 7.7699 15.3892 5.24516 numMergedOcc 0
44 mol 229 unq 0 iso 0 dist 9.68636 12.8446 8.6537 10.705 8.22528 8.65216 5.6419 7.03423 10.7439 5.57838 numMergedOcc 0
45 mol 229 unq 0 iso 1 dist 9.68636 12.8446 8.6537 5.6419 7.03423 10.7439 10.705 8.22528 8.65216 5.57838 numMergedOcc 0
46 mol 234 unq 0 iso 0 dist 7.17987 14.3029 7.86368 14.7629 9.45496 12.0816 13.5847 6.7625 6.94762 7.82322 numMergedOcc 0
47 mol 234 unq 0 iso 1 dist 7.17987 14.3029 7.86368 13.5847 6.7625 6.94762 14.7629 9.45496 12.0816 7.82322 numMergedOcc 0
48 mol 236 unq 0 iso 0 dist 6.0087 13.2917 8.90987 11.2678 8.03456 5.26654 12.338 6.84306 3.82437 5.79505 numMergedOcc 0
49 mol 236 unq 0 iso 1 dist 6.0087 13.2917 8.90987 12.338 6.84306 3.82437 11.2678 8.03456 5.26654 5.79505 numMergedOcc 0
50 mol 236 unq 1 iso 0 dist 6.0087 13.2917 8.90987 11.2678 8.03456 5.26654 12.431 9.99038 13.8124 9.90963 numMergedOcc 0
51 mol 236 unq 1 iso 1 dist 6.0087 13.2917 8.90987 12.431 9.99038 13.8124 11.2678 8.03456 5.26654 9.90963 numMergedOcc 0
52 mol 236 unq 2 iso 0 dist 6.0087 13.2917 8.90987 11.2678 8.03456 5.26654 8.71933 9.78037 11.2846 6.96005 numMergedOcc 0
53 mol 236 unq 2 iso 1 dist 6.0087 13.2917 8.90987 8.71933 9.78037 11.2846 11.2678 8.03456 5.26654 6.96005 numMergedOcc 0
54 mol 236 unq 3 iso 0 dist 6.0087 13.2917 8.90987 11.2678 8.03456 5.26654 5.81354 8.35971 16.8883 14.2337 numMergedOcc 0
55 mol 236 unq 3 iso 1 dist 6.0087 13.2917 8.90987 5.81354 8.35971 16.8883 11.2678 8.03456 5.26654 14.2337 numMergedOcc 0
56 mol 236 unq 1 iso 0 dist 6.0087 13.2917 8.90987 12.338 6.84306 3.82437 12.431 9.99038 13.8124 11.3368 numMergedOcc 0
57 mol 236 unq 1 iso 1 dist 6.0087 13.2917 8.90987 12.431 9.99038 13.8124 12.338 6.84306 3.82437 11.3368 numMergedOcc 0
58 mol 236 unq 2 iso 0 dist 6.0087 13.2917 8.90987 12.338 6.84306 3.82437 8.71933 9.78037 11.2846 11.8739 numMergedOcc 0
59 mol 236 unq 2 iso 1 dist 6.0087 13.2917 8.90987 8.71933 9.78037 11.2846 12.338 6.84306 3.82437 11.8739 numMergedOcc 0
60 mol 236 unq 3 iso 0 dist 6.0087 13.2917 8.90987 12.338 6.84306 3.82437 5.81354 8.35971 16.8883 14.7998 numMergedOcc 0
61 mol 236 unq 3 iso 1 dist 6.0087 13.2917 8.90987 5.81354 8.35971 16.8883 12.338 6.84306 3.82437 14.7998 numMergedOcc 0
62 mol 236 unq 2 iso 0 dist 6.0087 13.2917 8.90987 12.431 9.99038 13.8124 8.71933 9.78037 11.2846 11.1557 numMergedOcc 0
63 mol 236 unq 2 iso 1 dist 6.0087 13.2917 8.90987 8.71933 9.78037 11.2846 12.431 9.99038 13.8124 11.1557 numMergedOcc 0
64 mol 236 unq 3 iso 0 dist 6.0087 13.2917 8.90987 12.431 9.99038 13.8124 5.81354 8.35971 16.8883 10.7497 numMergedOcc 0
65 mol 236 unq 3 iso 1 dist 6.0087 13.2917 8.90987 5.81354 8.35971 16.8883 12.431 9.99038 13.8124 10.7497 numMergedOcc 0
66 mol 236 unq 3 iso 0 dist 6.0087 13.2917 8.90987 8.71933 9.78037 11.2846 5.81354 8.35971 16.8883 12.0369 numMergedOcc 0
67 mol 236 unq 3 iso 1 dist 6.0087 13.2917 8.90987 5.81354 8.35971 16.8883 8.71933 9.78037 11.2846 12.0369 numMergedOcc 0
68 mol 249 unq 0 iso 0 dist 9.14351 8.05633 6.37672 12.1004 7.57994 9.07501 9.40115 6.18582 4.24014 5.01979 numMergedOcc 0
69 mol 249 unq 0 iso 1 dist 9.14351 8.05633 6.37672 9.40115 6.18582 4.24014 12.1004 7.57994 9.07501 5.01979 numMergedOcc 0
70 mol 249 unq 1 iso 0 dist 9.14351 6.09778 8.94023 12.1004 7.57994 9.53929 9.40115 6.18582 5.36989 5.01979 numMergedOcc 0
71 mol 249 unq 1 iso 1 dist 9.14351 6.09778 8.94023 9.40115 6.18582 5.36989 12.1004 7.57994 9.53929 5.01979 numMergedOcc 0
