0 mol 11 unq 0 iso 0 dist 6.84216 8.05213 4.79838 11.0597 6.83186 3.56133 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.58046 7.85924 5.25331 10.7048 6.83186 3.66215 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 7.15542 4.84988 8.44353 3.63758 8.65524 5.67204 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 7.15542 4.84988 8.44353 6.88863 8.22812 4.28224 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 8.89047 4.84988 6.11249 3.63758 8.96151 5.67204 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 8.89047 4.84988 6.11249 6.88863 4.22002 4.28224 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 8.89003 4.84988 7.86326 3.63758 9.02535 5.67204 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 8.89003 4.84988 7.86326 6.88863 5.77855 4.28224 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 7.61521 6.06861 8.90522 10.5019 7.66068 10.865 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 7.61521 6.06861 8.90522 13.3187 9.5043 10.2651 numMergedOcc 0
10 mol 76 unq 2 iso 0 dist 7.61521 6.06861 8.90522 10.3032 8.34132 5.92868 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 5.25027 7.50972 7.90338 3.83059 4.15789 4.35906 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 4.37025 7.50972 7.08462 8.95695 6.20144 4.89844 numMergedOcc 0
13 mol 79 unq 2 iso 0 dist 4.37025 7.50972 7.08462 3.83059 4.808 4.35906 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 7.69926 10.7963 5.61151 6.35602 6.67137 10.803 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 7.69926 10.7963 5.61151 13.5979 9.78707 5.49707 numMergedOcc 0
16 mol 85 unq 2 iso 0 dist 5.85237 10.7963 6.54289 3.88489 7.07839 11.6623 numMergedOcc 0
17 mol 85 unq 3 iso 0 dist 5.85237 10.7963 6.54289 7.33192 9.09711 15.6048 numMergedOcc 0
18 mol 85 unq 4 iso 0 dist 5.85237 10.7963 6.54289 6.35602 7.04244 10.803 numMergedOcc 0
19 mol 85 unq 5 iso 0 dist 5.85237 10.7963 6.54289 5.78841 7.91193 13.4097 numMergedOcc 0
20 mol 85 unq 6 iso 0 dist 5.85237 10.7963 6.54289 13.5979 9.63449 5.49707 numMergedOcc 0
21 mol 85 unq 7 iso 0 dist 5.85237 4.83769 7.52869 3.88489 7.07839 4.86391 numMergedOcc 0
22 mol 85 unq 8 iso 0 dist 5.85237 4.83769 7.52869 7.33192 9.09711 11.6463 numMergedOcc 0
23 mol 85 unq 9 iso 0 dist 5.85237 4.83769 7.52869 6.35602 7.04244 9.46256 numMergedOcc 0
24 mol 85 unq 10 iso 0 dist 5.85237 4.83769 7.52869 13.5979 9.63449 11.3191 numMergedOcc 0
25 mol 85 unq 11 iso 0 dist 5.85237 4.83769 7.52869 5.78841 7.91193 8.06224 numMergedOcc 0
26 mol 85 unq 12 iso 0 dist 5.85237 6.24888 9.18945 3.88489 7.07839 9.18879 numMergedOcc 0
27 mol 85 unq 13 iso 0 dist 5.85237 6.24888 9.18945 7.33192 9.09711 13.1591 numMergedOcc 0
28 mol 85 unq 14 iso 0 dist 5.85237 6.24888 9.18945 6.35602 7.04244 6.34431 numMergedOcc 0
29 mol 85 unq 15 iso 0 dist 5.85237 6.24888 9.18945 13.5979 9.63449 14.7195 numMergedOcc 0
30 mol 85 unq 16 iso 0 dist 5.85237 6.24888 9.18945 5.78841 7.91193 11.8663 numMergedOcc 0
31 mol 85 unq 17 iso 0 dist 9.11768 7.79293 6.54289 9.22202 7.07839 11.6623 numMergedOcc 0
32 mol 85 unq 18 iso 0 dist 9.11768 7.79293 6.54289 10.5854 7.04244 10.803 numMergedOcc 0
33 mol 85 unq 19 iso 0 dist 9.11768 7.79293 6.54289 12.2858 7.91193 13.4097 numMergedOcc 0
34 mol 85 unq 20 iso 0 dist 9.11768 7.79293 6.54289 10.0606 9.63449 5.49707 numMergedOcc 0
35 mol 85 unq 21 iso 0 dist 9.11768 7.79293 6.54289 15.5226 9.09711 15.6048 numMergedOcc 0
36 mol 85 unq 22 iso 0 dist 9.11768 4.53268 7.52869 9.22202 7.07839 4.86391 numMergedOcc 0
37 mol 85 unq 23 iso 0 dist 9.11768 4.53268 7.52869 10.5854 7.04244 9.46256 numMergedOcc 0
38 mol 85 unq 24 iso 0 dist 9.11768 4.53268 7.52869 10.0606 9.63449 11.3191 numMergedOcc 0
39 mol 85 unq 25 iso 0 dist 9.11768 4.53268 7.52869 15.5226 9.09711 11.6463 numMergedOcc 0
40 mol 85 unq 26 iso 0 dist 9.11768 4.53268 7.52869 12.2858 7.91193 8.06224 numMergedOcc 0
41 mol 85 unq 27 iso 0 dist 9.11768 6.09332 9.18945 9.22202 7.07839 9.18879 numMergedOcc 0
42 mol 85 unq 28 iso 0 dist 9.11768 6.09332 9.18945 10.5854 7.04244 6.34431 numMergedOcc 0
43 mol 85 unq 29 iso 0 dist 9.11768 6.09332 9.18945 10.0606 9.63449 14.7195 numMergedOcc 0
44 mol 85 unq 30 iso 0 dist 9.11768 6.09332 9.18945 15.5226 9.09711 13.1591 numMergedOcc 0
45 mol 85 unq 31 iso 0 dist 9.11768 6.09332 9.18945 12.2858 7.91193 11.8663 numMergedOcc 0
46 mol 111 unq 0 iso 0 dist 5.98809 7.59143 7.75479 6.34994 9.34782 11.4065 numMergedOcc 0
47 mol 113 unq 0 iso 0 dist 8.99912 8.69934 5.45882 6.54263 4.49669 5.09579 numMergedOcc 0
48 mol 113 unq 1 iso 0 dist 8.99912 8.69934 5.45882 3.92558 5.88896 5.46299 numMergedOcc 0
49 mol 123 unq 0 iso 0 dist 8.111 12.8359 8.53618 12.2105 5.56127 4.43225 numMergedOcc 0
50 mol 123 unq 1 iso 0 dist 8.111 12.8359 8.53618 12.5368 8.03692 14.0485 numMergedOcc 0
51 mol 123 unq 2 iso 0 dist 8.111 12.8359 8.53618 6.21159 5.36214 8.58632 numMergedOcc 0
52 mol 141 unq 0 iso 0 dist 9.3273 4.29204 9.68074 6.80544 5.60448 9.53687 numMergedOcc 0
53 mol 143 unq 0 iso 0 dist 8.99891 5.44503 8.08798 6.75249 4.3855 4.19541 numMergedOcc 0
54 mol 277 unq 0 iso 0 dist 9.54359 10.7791 9.62597 13.7583 7.98956 13.6468 numMergedOcc 0
55 mol 277 unq 1 iso 0 dist 9.54359 10.7791 9.62597 13.6433 5.86185 13.3297 numMergedOcc 0
56 mol 277 unq 2 iso 0 dist 9.54359 10.7791 9.62597 10.469 6.79748 6.51854 numMergedOcc 0
57 mol 277 unq 3 iso 0 dist 5.69112 6.58374 9.62597 11.8607 7.98956 13.6468 numMergedOcc 0
58 mol 277 unq 4 iso 0 dist 5.69112 6.58374 9.62597 10.9137 5.86185 13.3297 numMergedOcc 0
59 mol 277 unq 5 iso 0 dist 5.69112 6.58374 9.62597 5.09884 6.79748 6.51854 numMergedOcc 0
60 mol 281 unq 0 iso 0 dist 5.50053 6.82073 9.94612 12.8596 7.90368 14.4804 numMergedOcc 0
61 mol 281 unq 1 iso 0 dist 5.50053 6.82073 9.94612 5.19196 6.69267 6.83942 numMergedOcc 0
62 mol 287 unq 0 iso 0 dist 5.30118 7.23534 5.50067 3.65199 4.68668 8.99193 numMergedOcc 0
63 mol 287 unq 1 iso 0 dist 8.98698 11.7115 5.50067 5.70614 4.68668 8.99193 numMergedOcc 0
64 mol 288 unq 0 iso 0 dist 5.30118 7.23534 5.50067 3.65199 4.68668 8.99193 numMergedOcc 0
65 mol 288 unq 1 iso 0 dist 8.98698 11.7115 5.50067 5.70614 4.68668 8.99193 numMergedOcc 0
66 mol 289 unq 0 iso 0 dist 5.30118 7.23534 5.50067 3.65199 4.68668 8.99193 numMergedOcc 0
67 mol 289 unq 1 iso 0 dist 8.98698 11.7115 5.50067 5.70614 4.68668 8.99193 numMergedOcc 0
