0 mol 58 unq 0 iso 0 dist 9.55426 6.81627 9.7274 8.26899 10.3782 5.98837 10.6169 9.4099 15.2973 13.7148 13.4544 6.47414 15.6564 14.7581 6.64012 15.6595 8.55984 18.0072 18.1063 9.08221 4.00553 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 9.55426 7.32874 5.90225 8.26899 10.3782 4.55117 10.6169 9.4099 11.396 13.7148 13.4544 6.47414 11.0466 14.7581 6.64012 15.6595 8.55984 14.0406 18.1063 9.08221 4.00553 numMergedOcc 0
2 mol 100 unq 0 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 8.8807 6.65086 10.1409 10.5193 12.0662 5.88134 7.1752 10.1499 9.60661 9.76432 6.23008 5.16579 6.13211 8.91882 4.03277 numMergedOcc 0
3 mol 100 unq 1 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 8.8807 6.65086 14.9102 10.5193 12.0662 5.88134 14.8365 10.1499 9.60661 9.76432 6.23008 14.4607 6.13211 8.91882 4.03277 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 9.66954 6.09023 4.61908 7.69052 5.83991 7.88312 8.66155 13.8473 10.8507 11.5723 11.3902 7.30858 13.4105 4.48636 11.835 9.13361 7.69765 10.3209 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 9.33865 6.11741 8.02349 9.66954 6.09023 4.61908 7.69052 5.83991 7.88312 8.66155 13.8473 10.8507 11.5723 11.3902 7.30858 6.39384 6.63111 6.07067 6.49835 9.42082 15.3161 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 9.33865 6.11741 8.02349 7.64585 10.2377 10.8939 7.69052 5.83991 7.88312 12.2309 13.8473 10.8507 11.5723 19.2193 7.30858 13.4105 4.48636 11.835 14.211 7.69765 10.3209 numMergedOcc 0
7 mol 115 unq 3 iso 0 dist 9.33865 6.11741 8.02349 7.64585 10.2377 10.8939 7.69052 5.83991 7.88312 12.2309 13.8473 10.8507 11.5723 19.2193 7.30858 6.39384 6.63111 6.07067 5.65471 9.42082 15.3161 numMergedOcc 0
8 mol 115 unq 4 iso 0 dist 5.83991 7.30858 10.8507 8.66155 6.09023 11.3902 7.69052 9.33865 13.8473 9.66954 7.88312 8.02349 11.5723 4.61908 6.11741 9.42082 6.63111 15.3161 6.49835 6.39384 6.07067 numMergedOcc 0
9 mol 115 unq 5 iso 0 dist 6.11741 9.33865 8.02349 9.66954 4.61908 6.09023 7.69052 7.88312 5.83991 8.66155 13.8473 11.5723 10.8507 11.3902 7.30858 13.4105 11.835 4.48636 9.13361 7.69765 10.3209 numMergedOcc 0
10 mol 115 unq 6 iso 0 dist 6.11741 9.33865 8.02349 9.66954 4.61908 6.09023 7.69052 7.88312 5.83991 8.66155 13.8473 11.5723 10.8507 11.3902 7.30858 6.39384 6.07067 6.63111 6.49835 9.42082 15.3161 numMergedOcc 0
11 mol 115 unq 7 iso 0 dist 6.11741 9.33865 8.02349 7.64585 10.8939 10.2377 7.69052 7.88312 5.83991 12.2309 13.8473 11.5723 10.8507 19.2193 7.30858 13.4105 11.835 4.48636 14.211 7.69765 10.3209 numMergedOcc 0
12 mol 115 unq 8 iso 0 dist 6.11741 9.33865 8.02349 7.64585 10.8939 10.2377 7.69052 7.88312 5.83991 12.2309 13.8473 11.5723 10.8507 19.2193 7.30858 6.39384 6.07067 6.63111 5.65471 9.42082 15.3161 numMergedOcc 0
13 mol 115 unq 9 iso 0 dist 7.88312 7.30858 11.5723 8.66155 4.61908 11.3902 7.69052 6.11741 13.8473 9.66954 5.83991 8.02349 10.8507 6.09023 9.33865 9.42082 6.07067 15.3161 6.49835 6.39384 6.63111 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 8.80819 8.94367 11.9139 8.79571 12.5075 6.81259 11.3271 6.17103 9.86662 11.988 8.06642 12.847 5.67107 7.21868 4.00092 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 5.00817 6.37586 9.5126 5.42582 12.5075 6.81259 11.3271 6.17103 9.71307 9.55584 6.95573 9.45357 6.0991 9.33924 10.2026 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 5.00817 6.37586 9.5126 5.42582 12.5075 6.81259 11.3271 6.17103 9.71307 11.988 8.06642 12.847 5.67107 7.93372 4.00092 numMergedOcc 0
17 mol 142 unq 0 iso 0 dist 9.2313 8.96657 11.1395 7.15475 9.49653 10.3477 5.32922 5.31024 11.0824 9.07935 7.73169 5.50998 5.92693 7.53854 7.26382 7.81207 4.67662 11.1 5.26247 6.14151 5.81599 numMergedOcc 0
18 mol 142 unq 1 iso 0 dist 5.31024 7.26382 5.50998 9.07935 9.49653 7.53854 5.32922 9.2313 7.73169 7.15475 11.0824 11.1395 5.92693 10.3477 8.96657 6.14151 4.67662 5.81599 5.26247 7.81207 11.1 numMergedOcc 0
19 mol 142 unq 2 iso 0 dist 5.31024 7.26382 5.50998 9.07935 9.49653 7.53854 5.32922 9.2313 7.73169 7.15475 11.0824 11.1395 5.92693 10.3477 8.96657 10.7696 13.5913 9.99555 12.2806 7.18002 6.52253 numMergedOcc 0
20 mol 142 unq 3 iso 0 dist 7.73169 8.96657 5.92693 7.15475 7.53854 10.3477 5.32922 7.26382 11.0824 9.07935 9.2313 5.50998 11.1395 9.49653 5.31024 7.81207 5.81599 11.1 5.26247 6.14151 4.67662 numMergedOcc 0
21 mol 142 unq 4 iso 0 dist 7.26382 5.31024 5.50998 9.07935 7.53854 9.49653 5.32922 7.73169 9.2313 7.15475 11.0824 5.92693 11.1395 10.3477 8.96657 6.14151 5.81599 4.67662 5.26247 7.81207 11.1 numMergedOcc 0
22 mol 142 unq 5 iso 0 dist 7.26382 5.31024 5.50998 9.07935 7.53854 9.49653 5.32922 7.73169 9.2313 7.15475 11.0824 5.92693 11.1395 10.3477 8.96657 10.7696 9.99555 13.5913 12.2806 7.18002 6.52253 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 5.98885 9.09537 10.1912 7.20046 5.4601 6.14208 8.88798 9.1374 15.0228 10.2276 10.7062 13.2049 12.8522 10.7112 8.03334 13.2783 12.9532 12.7791 9.37649 9.76212 6.50233 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 5.98885 9.09537 10.1912 7.13543 10.0524 5.95965 8.88798 9.1374 15.0228 10.7636 10.7062 13.2049 12.8522 7.07409 8.03334 13.2783 12.9532 12.7791 9.04392 9.76212 6.50233 numMergedOcc 0
25 mol 224 unq 0 iso 0 dist 6.57273 6.60589 5.0744 6.65984 5.29877 6.12232 8.49799 5.78342 9.16166 10.667 10.5128 5.60236 6.91102 10.449 5.81334 8.79428 7.05804 5.76843 10.9705 6.8692 4.54188 numMergedOcc 0
26 mol 224 unq 1 iso 0 dist 6.60589 6.57273 5.0744 6.65984 6.12232 5.29877 8.49799 9.16166 5.78342 10.667 10.5128 6.91102 5.60236 10.449 5.81334 8.79428 5.76843 7.05804 10.9705 6.8692 4.54188 numMergedOcc 0
27 mol 234 unq 0 iso 0 dist 6.56247 8.34494 6.29886 6.25105 11.216 10.3337 5.88703 9.45496 12.9605 7.85175 9.36357 7.82322 12.1694 11.4315 6.7625 11.6391 12.4252 14.898 10.5304 7.81215 5.75498 numMergedOcc 0
28 mol 234 unq 1 iso 0 dist 9.36357 8.34494 12.1694 6.25105 11.4315 10.3337 5.88703 6.7625 12.9605 7.85175 6.56247 7.82322 6.29886 11.216 9.45496 11.6391 5.75498 14.898 10.5304 7.81215 12.4252 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 8.03456 6.84306 5.79505 7.17676 11.8759 11.3552 7.28249 9.81562 7.68742 5.34718 9.99038 9.90963 11.3368 6.04825 6.27581 10.1317 4.27181 4.89609 13.0765 9.3206 10.5774 numMergedOcc 0
30 mol 236 unq 1 iso 0 dist 8.03456 6.84306 5.79505 6.68463 9.07822 11.6837 7.28249 9.81562 7.68742 10.5713 9.99038 9.90963 11.3368 8.8265 6.27581 10.1317 4.27181 4.89609 12.5813 9.3206 10.5774 numMergedOcc 0
31 mol 236 unq 2 iso 0 dist 8.03456 9.99038 9.90963 7.17676 11.8759 6.04825 7.28249 9.81562 6.27581 5.34718 6.84306 5.79505 11.3368 11.3552 7.68742 10.1317 4.27181 10.5774 13.0765 9.3206 4.89609 numMergedOcc 0
32 mol 236 unq 3 iso 0 dist 8.03456 9.99038 9.90963 6.68463 9.07822 8.8265 7.28249 9.81562 6.27581 10.5713 6.84306 5.79505 11.3368 11.6837 7.68742 10.1317 4.27181 10.5774 12.5813 9.3206 4.89609 numMergedOcc 0
33 mol 236 unq 4 iso 0 dist 8.03456 9.78037 6.96005 7.17676 11.8759 12.6468 7.28249 9.81562 13.499 5.34718 6.84306 5.79505 11.8739 11.3552 7.68742 10.1317 4.27181 11.0923 13.0765 9.3206 4.89609 numMergedOcc 0
34 mol 236 unq 5 iso 0 dist 8.03456 9.78037 6.96005 7.17676 11.8759 12.6468 7.28249 9.81562 13.499 5.34718 9.99038 9.90963 11.1557 6.04825 6.27581 10.1317 4.27181 11.0923 13.0765 9.3206 10.5774 numMergedOcc 0
35 mol 236 unq 6 iso 0 dist 8.03456 9.78037 6.96005 6.68463 9.07822 5.80136 7.28249 9.81562 13.499 10.5713 6.84306 5.79505 11.8739 11.6837 7.68742 10.1317 4.27181 11.0923 12.5813 9.3206 4.89609 numMergedOcc 0
36 mol 236 unq 7 iso 0 dist 8.03456 9.78037 6.96005 6.68463 9.07822 5.80136 7.28249 9.81562 13.499 10.5713 9.99038 9.90963 11.1557 8.8265 6.27581 10.1317 4.27181 11.0923 12.5813 9.3206 10.5774 numMergedOcc 0
37 mol 236 unq 8 iso 0 dist 8.03456 8.35971 14.2337 7.17676 11.8759 6.40312 7.28249 9.81562 11.2141 5.34718 6.84306 5.79505 14.7998 11.3552 7.68742 10.1317 4.27181 16.9105 13.0765 9.3206 4.89609 numMergedOcc 0
38 mol 236 unq 9 iso 0 dist 8.03456 8.35971 14.2337 7.17676 11.8759 6.40312 7.28249 9.81562 11.2141 5.34718 9.99038 9.90963 10.7497 6.04825 6.27581 10.1317 4.27181 16.9105 13.0765 9.3206 10.5774 numMergedOcc 0
39 mol 236 unq 10 iso 0 dist 8.03456 8.35971 14.2337 6.68463 9.07822 6.2568 7.28249 9.81562 11.2141 10.5713 6.84306 5.79505 14.7998 11.6837 7.68742 10.1317 4.27181 16.9105 12.5813 9.3206 4.89609 numMergedOcc 0
40 mol 236 unq 11 iso 0 dist 8.03456 8.35971 14.2337 6.68463 9.07822 6.2568 7.28249 9.81562 11.2141 10.5713 9.99038 9.90963 10.7497 8.8265 6.27581 10.1317 4.27181 16.9105 12.5813 9.3206 10.5774 numMergedOcc 0
41 mol 236 unq 12 iso 0 dist 6.84306 8.03456 5.79505 7.17676 11.3552 11.8759 7.28249 7.68742 9.81562 5.34718 9.99038 11.3368 9.90963 6.04825 6.27581 10.1317 4.89609 4.27181 13.0765 9.3206 10.5774 numMergedOcc 0
42 mol 236 unq 13 iso 0 dist 6.84306 8.03456 5.79505 6.68463 11.6837 9.07822 7.28249 7.68742 9.81562 10.5713 9.99038 11.3368 9.90963 8.8265 6.27581 10.1317 4.89609 4.27181 12.5813 9.3206 10.5774 numMergedOcc 0
43 mol 236 unq 14 iso 0 dist 6.84306 9.99038 11.3368 7.17676 11.3552 6.04825 7.28249 7.68742 6.27581 5.34718 8.03456 5.79505 9.90963 11.8759 9.81562 10.1317 4.89609 10.5774 13.0765 9.3206 4.27181 numMergedOcc 0
44 mol 236 unq 15 iso 0 dist 6.84306 9.99038 11.3368 6.68463 11.6837 8.8265 7.28249 7.68742 6.27581 10.5713 8.03456 5.79505 9.90963 9.07822 9.81562 10.1317 4.89609 10.5774 12.5813 9.3206 4.27181 numMergedOcc 0
45 mol 236 unq 16 iso 0 dist 6.84306 9.78037 11.8739 7.17676 11.3552 12.6468 7.28249 7.68742 13.499 5.34718 8.03456 5.79505 6.96005 11.8759 9.81562 10.1317 4.89609 11.0923 13.0765 9.3206 4.27181 numMergedOcc 0
46 mol 236 unq 17 iso 0 dist 6.84306 9.78037 11.8739 7.17676 11.3552 12.6468 7.28249 7.68742 13.499 5.34718 9.99038 11.3368 11.1557 6.04825 6.27581 10.1317 4.89609 11.0923 13.0765 9.3206 10.5774 numMergedOcc 0
47 mol 236 unq 18 iso 0 dist 6.84306 9.78037 11.8739 6.68463 11.6837 5.80136 7.28249 7.68742 13.499 10.5713 8.03456 5.79505 6.96005 9.07822 9.81562 10.1317 4.89609 11.0923 12.5813 9.3206 4.27181 numMergedOcc 0
48 mol 236 unq 19 iso 0 dist 6.84306 9.78037 11.8739 6.68463 11.6837 5.80136 7.28249 7.68742 13.499 10.5713 9.99038 11.3368 11.1557 8.8265 6.27581 10.1317 4.89609 11.0923 12.5813 9.3206 10.5774 numMergedOcc 0
49 mol 236 unq 20 iso 0 dist 6.84306 8.35971 14.7998 7.17676 11.3552 6.40312 7.28249 7.68742 11.2141 5.34718 8.03456 5.79505 14.2337 11.8759 9.81562 10.1317 4.89609 16.9105 13.0765 9.3206 4.27181 numMergedOcc 0
50 mol 236 unq 21 iso 0 dist 6.84306 8.35971 14.7998 7.17676 11.3552 6.40312 7.28249 7.68742 11.2141 5.34718 9.99038 11.3368 10.7497 6.04825 6.27581 10.1317 4.89609 16.9105 13.0765 9.3206 10.5774 numMergedOcc 0
51 mol 236 unq 22 iso 0 dist 6.84306 8.35971 14.7998 6.68463 11.6837 6.2568 7.28249 7.68742 11.2141 10.5713 8.03456 5.79505 14.2337 9.07822 9.81562 10.1317 4.89609 16.9105 12.5813 9.3206 4.27181 numMergedOcc 0
52 mol 236 unq 23 iso 0 dist 6.84306 8.35971 14.7998 6.68463 11.6837 6.2568 7.28249 7.68742 11.2141 10.5713 9.99038 11.3368 10.7497 8.8265 6.27581 10.1317 4.89609 16.9105 12.5813 9.3206 10.5774 numMergedOcc 0
53 mol 236 unq 24 iso 0 dist 9.99038 8.03456 9.90963 7.17676 6.04825 11.8759 7.28249 6.27581 9.81562 5.34718 6.84306 11.3368 5.79505 11.3552 7.68742 10.1317 10.5774 4.27181 13.0765 9.3206 4.89609 numMergedOcc 0
54 mol 236 unq 25 iso 0 dist 9.99038 8.03456 9.90963 6.68463 8.8265 9.07822 7.28249 6.27581 9.81562 10.5713 6.84306 11.3368 5.79505 11.6837 7.68742 10.1317 10.5774 4.27181 12.5813 9.3206 4.89609 numMergedOcc 0
55 mol 236 unq 26 iso 0 dist 9.99038 6.84306 11.3368 7.17676 6.04825 11.3552 7.28249 6.27581 7.68742 5.34718 8.03456 9.90963 5.79505 11.8759 9.81562 10.1317 10.5774 4.89609 13.0765 9.3206 4.27181 numMergedOcc 0
56 mol 236 unq 27 iso 0 dist 9.99038 6.84306 11.3368 6.68463 8.8265 11.6837 7.28249 6.27581 7.68742 10.5713 8.03456 9.90963 5.79505 9.07822 9.81562 10.1317 10.5774 4.89609 12.5813 9.3206 4.27181 numMergedOcc 0
57 mol 236 unq 28 iso 0 dist 9.99038 9.78037 11.1557 7.17676 6.04825 12.6468 7.28249 6.27581 13.499 5.34718 8.03456 9.90963 6.96005 11.8759 9.81562 10.1317 10.5774 11.0923 13.0765 9.3206 4.27181 numMergedOcc 0
58 mol 236 unq 29 iso 0 dist 9.99038 9.78037 11.1557 7.17676 6.04825 12.6468 7.28249 6.27581 13.499 5.34718 6.84306 11.3368 11.8739 11.3552 7.68742 10.1317 10.5774 11.0923 13.0765 9.3206 4.89609 numMergedOcc 0
59 mol 236 unq 30 iso 0 dist 9.99038 9.78037 11.1557 6.68463 8.8265 5.80136 7.28249 6.27581 13.499 10.5713 8.03456 9.90963 6.96005 9.07822 9.81562 10.1317 10.5774 11.0923 12.5813 9.3206 4.27181 numMergedOcc 0
60 mol 236 unq 31 iso 0 dist 9.99038 9.78037 11.1557 6.68463 8.8265 5.80136 7.28249 6.27581 13.499 10.5713 6.84306 11.3368 11.8739 11.6837 7.68742 10.1317 10.5774 11.0923 12.5813 9.3206 4.89609 numMergedOcc 0
61 mol 236 unq 32 iso 0 dist 9.99038 8.35971 10.7497 7.17676 6.04825 6.40312 7.28249 6.27581 11.2141 5.34718 8.03456 9.90963 14.2337 11.8759 9.81562 10.1317 10.5774 16.9105 13.0765 9.3206 4.27181 numMergedOcc 0
62 mol 236 unq 33 iso 0 dist 9.99038 8.35971 10.7497 7.17676 6.04825 6.40312 7.28249 6.27581 11.2141 5.34718 6.84306 11.3368 14.7998 11.3552 7.68742 10.1317 10.5774 16.9105 13.0765 9.3206 4.89609 numMergedOcc 0
63 mol 236 unq 34 iso 0 dist 9.99038 8.35971 10.7497 6.68463 8.8265 6.2568 7.28249 6.27581 11.2141 10.5713 8.03456 9.90963 14.2337 9.07822 9.81562 10.1317 10.5774 16.9105 12.5813 9.3206 4.27181 numMergedOcc 0
64 mol 236 unq 35 iso 0 dist 9.99038 8.35971 10.7497 6.68463 8.8265 6.2568 7.28249 6.27581 11.2141 10.5713 6.84306 11.3368 14.7998 11.6837 7.68742 10.1317 10.5774 16.9105 12.5813 9.3206 4.89609 numMergedOcc 0
65 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.48005 11.6195 11.8736 4.69778 8.13497 9.95973 10.9591 10.5767 10.582 10.4756 17.9331 8.53687 7.66153 8.8603 5.8801 14.0829 9.07743 6.73882 numMergedOcc 0
66 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 7.48005 11.6195 5.79468 4.69778 8.13497 10.3935 10.9591 10.5767 10.582 15.7715 17.9331 8.53687 7.66153 8.8603 11.8896 14.0829 9.07743 6.73882 numMergedOcc 0
67 mol 259 unq 2 iso 0 dist 7.88519 9.18903 10.4881 7.48005 11.6195 12.6649 4.69778 8.13497 12.6839 10.9591 10.5767 10.582 12.5247 17.9331 8.53687 7.66153 8.8603 5.81576 14.0829 9.07743 6.73882 numMergedOcc 0
