0 mol 1 unq 0 iso 0 dist 8.27735 9.11012 9.72202 5.27206 9.00903 5.42625 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.8576 5.83293 6.8464 10.4545 8.41585 5.0893 numMergedOcc 0
2 mol 14 unq 0 iso 0 dist 7.0208 5.1956 5.36937 10.5465 9.58196 6.03847 numMergedOcc 0
3 mol 14 unq 1 iso 0 dist 7.28563 6.38279 5.36937 12.3645 9.58196 6.03847 numMergedOcc 0
4 mol 14 unq 2 iso 0 dist 8.51112 10.7867 7.73217 12.3645 9.04767 4.75873 numMergedOcc 0
5 mol 14 unq 3 iso 0 dist 8.51112 6.38279 5.99703 12.3645 9.04767 6.03847 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 8.13365 8.35576 8.0319 10.5449 6.86014 11.4109 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 7.34549 8.23892 9.80897 4.76147 8.34347 12.8257 numMergedOcc 0
8 mol 26 unq 1 iso 0 dist 7.34549 5.19532 8.37225 4.76147 8.34347 8.70636 numMergedOcc 0
9 mol 26 unq 2 iso 0 dist 8.09068 14.6126 9.80897 6.30129 8.34347 12.8257 numMergedOcc 0
10 mol 26 unq 3 iso 0 dist 8.09068 9.51004 8.37225 6.30129 8.34347 8.70636 numMergedOcc 0
11 mol 26 unq 4 iso 0 dist 9.72289 17.2928 9.80897 5.93227 8.34347 12.8257 numMergedOcc 0
12 mol 26 unq 5 iso 0 dist 9.72289 12.8246 8.37225 5.93227 8.34347 8.70636 numMergedOcc 0
13 mol 43 unq 0 iso 0 dist 8.47617 11.3388 8.03754 15.1595 8.80331 14.0204 numMergedOcc 0
14 mol 43 unq 1 iso 0 dist 8.47617 11.3388 8.03754 8.14351 6.20293 13.1056 numMergedOcc 0
15 mol 43 unq 2 iso 0 dist 5.73331 4.09692 9.47348 8.14351 8.93915 9.92508 numMergedOcc 0
16 mol 60 unq 0 iso 0 dist 8.46609 9.47661 7.15352 4.72836 6.65595 9.28444 numMergedOcc 0
17 mol 60 unq 1 iso 0 dist 8.46609 9.47661 7.15352 9.1013 9.25011 11.0491 numMergedOcc 0
18 mol 60 unq 2 iso 0 dist 8.46609 9.47661 7.15352 12.4802 6.43294 4.80738 numMergedOcc 0
19 mol 60 unq 3 iso 0 dist 8.46609 9.47661 7.15352 11.7276 8.52121 6.28337 numMergedOcc 0
20 mol 75 unq 0 iso 0 dist 8.64872 9.2905 9.20448 10.4239 7.79912 14.2474 numMergedOcc 0
21 mol 75 unq 1 iso 0 dist 8.64872 9.2905 9.20448 12.0967 8.56639 12.103 numMergedOcc 0
22 mol 75 unq 2 iso 0 dist 8.64872 9.2905 9.20448 9.60759 8.59017 5.76778 numMergedOcc 0
23 mol 75 unq 3 iso 0 dist 8.64872 9.39059 6.96759 10.4239 7.79912 13.8905 numMergedOcc 0
24 mol 75 unq 4 iso 0 dist 8.64872 9.39059 6.96759 12.0967 8.56639 12.899 numMergedOcc 0
25 mol 75 unq 5 iso 0 dist 8.64872 9.39059 6.96759 9.60759 8.59017 8.41332 numMergedOcc 0
26 mol 75 unq 6 iso 0 dist 8.64872 4.6252 6.97318 10.4239 7.79912 11.2774 numMergedOcc 0
27 mol 75 unq 7 iso 0 dist 8.64872 4.6252 6.97318 12.0967 8.56639 11.0206 numMergedOcc 0
28 mol 75 unq 8 iso 0 dist 8.64872 4.6252 6.97318 9.60759 8.59017 6.56982 numMergedOcc 0
29 mol 115 unq 0 iso 0 dist 5.11612 5.73904 7.9258 10.3475 9.33865 10.9791 numMergedOcc 0
30 mol 115 unq 1 iso 0 dist 5.11612 5.73904 7.9258 6.86762 5.83991 4.75197 numMergedOcc 0
31 mol 122 unq 0 iso 0 dist 8.054 8.9579 8.75778 9.57532 8.37808 9.00329 numMergedOcc 0
32 mol 129 unq 0 iso 0 dist 6.47346 11.0685 8.59695 6.90896 5.83384 6.13737 numMergedOcc 0
33 mol 129 unq 1 iso 0 dist 6.47346 3.86284 6.42706 6.90896 5.83384 5.12351 numMergedOcc 0
34 mol 129 unq 2 iso 0 dist 7.00798 6.59051 9.1987 5.57978 8.54584 10.4463 numMergedOcc 0
35 mol 129 unq 3 iso 0 dist 7.00798 6.59051 9.1987 6.05033 8.53613 7.40266 numMergedOcc 0
36 mol 133 unq 0 iso 0 dist 8.94909 6.14253 9.47554 8.76089 7.11802 5.34829 numMergedOcc 0
37 mol 133 unq 1 iso 0 dist 8.94909 6.14253 9.47554 6.80087 8.00618 9.67676 numMergedOcc 0
38 mol 152 unq 0 iso 0 dist 9.0847 13.0972 8.41774 14.8573 8.56324 13.1435 numMergedOcc 0
39 mol 152 unq 1 iso 0 dist 9.0847 13.0972 8.41774 8.41711 6.70283 13.793 numMergedOcc 0
40 mol 152 unq 2 iso 0 dist 9.0847 13.0972 8.41774 4.82496 7.16148 11.2124 numMergedOcc 0
41 mol 178 unq 0 iso 0 dist 7.14849 12.4035 9.63185 6.96904 6.69288 14.4816 numMergedOcc 0
42 mol 178 unq 1 iso 0 dist 7.14849 12.4035 9.63185 7.57303 6.43573 10.2893 numMergedOcc 0
43 mol 178 unq 2 iso 0 dist 7.14849 12.4035 9.63185 14.0459 7.17202 9.7684 numMergedOcc 0
44 mol 178 unq 3 iso 0 dist 7.14849 12.4035 9.63185 14.3001 8.81551 5.37264 numMergedOcc 0
45 mol 178 unq 4 iso 0 dist 8.63718 7.28647 9.63185 11.5509 6.69288 14.4816 numMergedOcc 0
46 mol 178 unq 5 iso 0 dist 8.63718 7.28647 9.63185 7.31401 6.43573 10.2893 numMergedOcc 0
47 mol 178 unq 6 iso 0 dist 8.63718 7.28647 9.63185 5.91018 7.17202 9.7684 numMergedOcc 0
48 mol 178 unq 7 iso 0 dist 8.63718 7.28647 9.63185 4.92895 8.81551 5.37264 numMergedOcc 0
49 mol 181 unq 0 iso 0 dist 6.43406 6.35731 7.7544 10.9813 7.81386 10.8374 numMergedOcc 0
50 mol 204 unq 0 iso 0 dist 6.20646 12.7269 9.44947 5.21426 7.10633 10.5243 numMergedOcc 0
51 mol 204 unq 1 iso 0 dist 6.20646 12.7269 9.44947 8.35604 8.51516 10.2677 numMergedOcc 0
52 mol 204 unq 2 iso 0 dist 6.73266 7.03981 9.44947 5.57112 7.10633 10.5243 numMergedOcc 0
53 mol 204 unq 3 iso 0 dist 6.73266 7.03981 9.44947 12.1292 8.51516 10.2677 numMergedOcc 0
54 mol 205 unq 0 iso 0 dist 6.04106 11.4325 7.51951 12.9245 7.26832 5.04299 numMergedOcc 0
55 mol 206 unq 0 iso 0 dist 7.94694 4.45877 8.11407 5.1071 7.7366 7.72969 numMergedOcc 0
56 mol 206 unq 1 iso 0 dist 7.51923 4.45877 8.95375 5.39127 8.02137 6.84704 numMergedOcc 0
57 mol 206 unq 2 iso 0 dist 7.51923 4.45877 8.95375 5.1071 9.774 7.72969 numMergedOcc 0
58 mol 206 unq 3 iso 0 dist 7.51923 10.6096 9.29007 5.39127 8.02137 12.4178 numMergedOcc 0
59 mol 206 unq 4 iso 0 dist 7.51923 10.6096 9.29007 5.1071 9.774 9.9578 numMergedOcc 0
60 mol 224 unq 0 iso 0 dist 9.61379 8.96279 7.49783 9.57016 8.95269 12.8561 numMergedOcc 0
61 mol 224 unq 1 iso 0 dist 8.47457 5.39078 8.80858 5.15333 6.65832 4.46743 numMergedOcc 0
62 mol 224 unq 2 iso 0 dist 8.47457 5.39078 8.80858 8.1404 6.60589 4.93626 numMergedOcc 0
63 mol 224 unq 3 iso 0 dist 8.47457 5.39078 8.80858 15.1783 9.16166 11.8641 numMergedOcc 0
64 mol 229 unq 0 iso 0 dist 8.52933 5.67229 8.68804 10.568 9.06952 6.36273 numMergedOcc 0
65 mol 234 unq 0 iso 0 dist 6.15754 9.92466 5.46736 11.8245 8.34494 4.82695 numMergedOcc 0
66 mol 234 unq 1 iso 0 dist 6.15754 9.92466 5.46736 12.4455 6.56247 4.93623 numMergedOcc 0
67 mol 234 unq 2 iso 0 dist 6.15754 9.92466 5.46736 14.0876 9.36357 11.7817 numMergedOcc 0
68 mol 234 unq 3 iso 0 dist 6.6281 6.70367 5.46736 6.65785 8.34494 4.82695 numMergedOcc 0
69 mol 234 unq 4 iso 0 dist 6.6281 6.70367 5.46736 10.0624 6.56247 4.93623 numMergedOcc 0
70 mol 234 unq 5 iso 0 dist 6.6281 6.70367 5.46736 13.9869 9.36357 11.7817 numMergedOcc 0
71 mol 236 unq 0 iso 0 dist 5.99137 7.15062 7.87233 13.7629 9.81562 15.6279 numMergedOcc 0
72 mol 236 unq 1 iso 0 dist 5.99137 7.15062 7.87233 13.3575 7.68742 13.7246 numMergedOcc 0
73 mol 236 unq 2 iso 0 dist 5.99137 7.15062 7.87233 5.03598 6.27581 10.5269 numMergedOcc 0
74 mol 277 unq 0 iso 0 dist 9.64889 10.6345 4.81916 15.4648 9.7748 7.94155 numMergedOcc 0
75 mol 279 unq 0 iso 0 dist 7.63115 14.2998 9.24472 5.82892 9.70696 13.0364 numMergedOcc 0
76 mol 280 unq 0 iso 0 dist 9.0021 7.41099 5.41639 12.6862 6.53701 8.26589 numMergedOcc 0
