0 mol 15 unq 0 iso 0 dist 9.70735 9.5538 7.12903 15.2545 9.03536 8.21493 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.84569 5.66529 6.58035 11.8413 10.7015 7.03948 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 6.84569 5.66529 6.58035 9.59856 5.32694 5.47769 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 6.84569 6.32814 8.41862 10.5516 5.74188 8.16785 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 7.46207 7.35595 8.82012 15.3546 13.2136 9.16962 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 7.51406 9.20028 9.16962 16.9245 13.2136 8.82012 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 9.17045 10.9036 6.99408 14.9722 6.11102 9.3403 numMergedOcc 0
7 mol 45 unq 1 iso 0 dist 6.32012 5.19805 6.99408 10.308 6.11102 9.3403 numMergedOcc 0
8 mol 70 unq 0 iso 0 dist 7.63663 14.4842 7.92394 12.2091 5.22626 8.33704 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 6.68311 13.1473 6.77912 10.1695 5.36766 8.624 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 6.10011 10.0721 5.64598 10.1112 7.4697 8.70133 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 6.10011 10.0721 5.64598 8.124 5.7113 4.65521 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 8.124 10.0721 4.65521 10.1112 5.4148 8.70133 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 8.124 10.0721 4.65521 6.10011 5.7113 5.64598 numMergedOcc 0
14 mol 76 unq 0 iso 0 dist 8.41567 7.5192 6.21982 5.56964 10.2879 8.19682 numMergedOcc 0
15 mol 76 unq 1 iso 0 dist 5.56964 7.5192 8.19682 8.41567 10.2879 6.21982 numMergedOcc 0
16 mol 76 unq 2 iso 0 dist 6.62246 9.82998 6.21982 12.885 10.2879 8.19682 numMergedOcc 0
17 mol 85 unq 0 iso 0 dist 6.56728 8.46482 7.22293 13.2962 6.9948 9.47876 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 5.70279 11.8754 7.75343 11.3277 5.88134 6.58204 numMergedOcc 0
19 mol 109 unq 0 iso 0 dist 8.84523 5.38332 5.87358 9.45397 4.98336 9.20981 numMergedOcc 0
20 mol 109 unq 1 iso 0 dist 9.45397 5.38332 9.20981 8.84523 4.98336 5.87358 numMergedOcc 0
21 mol 114 unq 0 iso 0 dist 7.23973 5.27409 7.12609 12.9623 8.66412 8.68821 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 8.97043 7.266 9.66954 12.9647 7.69052 8.66155 numMergedOcc 0
23 mol 115 unq 1 iso 0 dist 6.04412 5.97684 6.50039 11.9574 10.4294 6.87861 numMergedOcc 0
24 mol 117 unq 0 iso 0 dist 7.0318 5.70073 6.62561 11.0698 7.22206 7.63616 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 8.88255 10.06 9.63176 12.7943 11.6667 7.39889 numMergedOcc 0
26 mol 119 unq 1 iso 0 dist 8.88255 10.06 9.63176 16.6272 12.4603 7.44174 numMergedOcc 0
27 mol 131 unq 0 iso 0 dist 8.99949 9.45501 6.91348 15.0798 6.63273 8.6243 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 7.27598 7.26771 5.42582 12.3933 5.49782 8.79571 numMergedOcc 0
29 mol 134 unq 1 iso 0 dist 7.27598 7.26771 5.42582 5.57904 5.00817 8.6355 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 5.57904 7.26771 8.6355 12.3933 8.80819 8.79571 numMergedOcc 0
31 mol 134 unq 3 iso 0 dist 5.57904 7.26771 8.6355 7.27598 5.00817 5.42582 numMergedOcc 0
32 mol 134 unq 4 iso 0 dist 6.54987 6.63186 7.77454 10.9185 7.93571 8.94837 numMergedOcc 0
33 mol 140 unq 0 iso 0 dist 9.68229 5.35291 6.95323 12.1011 6.43459 7.27371 numMergedOcc 0
34 mol 141 unq 0 iso 0 dist 7.34465 11.9359 6.93652 12.54 5.67306 9.54444 numMergedOcc 0
35 mol 142 unq 0 iso 0 dist 9.14908 11.8956 9.07935 10.9228 5.32922 7.15475 numMergedOcc 0
36 mol 155 unq 0 iso 0 dist 5.68636 6.79302 7.36102 13.3396 10.7616 7.39644 numMergedOcc 0
37 mol 156 unq 0 iso 0 dist 9.19499 11.9162 9.36805 14.1844 5.76755 8.47155 numMergedOcc 0
38 mol 156 unq 1 iso 0 dist 9.19499 11.9162 9.36805 13.581 8.38403 7.55203 numMergedOcc 0
39 mol 156 unq 2 iso 0 dist 7.98018 4.71629 7.55203 11.4132 7.60354 8.47155 numMergedOcc 0
40 mol 156 unq 3 iso 0 dist 7.98018 4.71629 7.55203 10.0213 8.38403 9.36805 numMergedOcc 0
41 mol 218 unq 0 iso 0 dist 8.2088 7.85937 7.13323 9.82905 7.83217 7.17547 numMergedOcc 0
42 mol 227 unq 0 iso 0 dist 9.60159 7.35206 8.17891 12.0857 5.22356 6.95902 numMergedOcc 0
43 mol 232 unq 0 iso 0 dist 8.89211 6.12197 7.07392 11.7774 4.96364 9.62952 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 6.06422 5.58989 5.38637 9.6312 5.42006 6.55759 numMergedOcc 0
45 mol 238 unq 1 iso 0 dist 7.61478 5.92575 8.96531 11.6421 12.9854 7.02475 numMergedOcc 0
46 mol 238 unq 2 iso 0 dist 5.67917 10.761 9.90142 8.96639 5.40359 5.9216 numMergedOcc 0
47 mol 238 unq 3 iso 0 dist 8.96639 12.8735 9.68513 12.6253 10.1648 9.29858 numMergedOcc 0
48 mol 238 unq 4 iso 0 dist 8.96639 10.761 5.9216 5.67917 5.40359 9.90142 numMergedOcc 0
49 mol 238 unq 5 iso 0 dist 4.87108 5.61491 7.49471 7.64276 5.34096 7.19008 numMergedOcc 0
50 mol 238 unq 6 iso 0 dist 7.64276 13.9044 6.55759 11.4704 5.42006 5.38637 numMergedOcc 0
51 mol 238 unq 7 iso 0 dist 7.64276 13.3748 7.02475 15.4736 12.9854 8.96531 numMergedOcc 0
52 mol 238 unq 8 iso 0 dist 7.64276 5.61491 7.19008 4.87108 5.34096 7.49471 numMergedOcc 0
53 mol 238 unq 9 iso 0 dist 6.54455 6.74728 7.49471 10.2875 5.34096 7.19008 numMergedOcc 0
54 mol 240 unq 0 iso 0 dist 9.68888 13.7594 6.15305 13.7335 4.28414 7.03489 numMergedOcc 0
55 mol 249 unq 0 iso 0 dist 7.72708 6.94174 8.96876 11.455 8.34718 8.83735 numMergedOcc 0
56 mol 256 unq 0 iso 0 dist 5.98967 6.25507 5.24676 13.8383 9.92128 8.09363 numMergedOcc 0
57 mol 259 unq 0 iso 0 dist 8.57619 5.4536 8.37865 10.367 12.5353 7.48005 numMergedOcc 0
58 mol 272 unq 0 iso 0 dist 7.31993 13.7563 9.09992 12.3168 5.40809 6.73206 numMergedOcc 0
