0 mol 10 unq 0 iso 0 dist 9.6309 13.2906 8.3613 9.23414 3.3748 9.33141 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 8.76873 11.4971 8.3613 10.0775 3.3748 9.33141 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 9.58981 6.38082 8.3613 11.2253 3.3748 9.33141 numMergedOcc 0
3 mol 10 unq 3 iso 0 dist 9.23414 13.2906 9.33141 9.6309 3.3748 8.3613 numMergedOcc 0
4 mol 11 unq 0 iso 0 dist 6.09937 4.73237 8.68293 9.94905 14.8738 6.84216 numMergedOcc 0
5 mol 11 unq 1 iso 0 dist 9.07476 5.8961 6.84216 11.7765 14.8738 8.68293 numMergedOcc 0
6 mol 11 unq 2 iso 0 dist 9.04534 5.71129 6.58046 11.8229 13.3327 8.01262 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 8.6586 13.2653 8.23075 13.2236 6.0925 4.7841 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 7.89667 5.3315 8.31381 11.2671 6.92384 7.98005 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 8.48827 7.17843 7.91148 7.14048 3.24688 6.59794 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 8.48827 7.17843 7.91148 9.53722 4.60796 8.34957 numMergedOcc 0
11 mol 78 unq 2 iso 0 dist 8.03895 4.4651 7.91148 5.68873 3.24688 6.59794 numMergedOcc 0
12 mol 78 unq 3 iso 0 dist 8.03895 4.4651 7.91148 9.84838 4.60796 8.34957 numMergedOcc 0
13 mol 78 unq 4 iso 0 dist 7.14048 7.17843 6.59794 8.48827 3.24688 7.91148 numMergedOcc 0
14 mol 78 unq 5 iso 0 dist 7.14048 7.17843 6.59794 9.53722 7.19832 8.34957 numMergedOcc 0
15 mol 78 unq 6 iso 0 dist 5.68873 4.4651 6.59794 8.03895 3.24688 7.91148 numMergedOcc 0
16 mol 78 unq 7 iso 0 dist 5.68873 4.4651 6.59794 9.84838 7.19832 8.34957 numMergedOcc 0
17 mol 109 unq 0 iso 0 dist 6.3323 11.1132 7.44558 14.9801 9.99088 8.11702 numMergedOcc 0
18 mol 113 unq 0 iso 0 dist 9.86767 4.36935 9.59585 12.94 9.78508 9.7073 numMergedOcc 0
19 mol 113 unq 1 iso 0 dist 7.08403 14.0364 7.02367 15.267 10.8127 9.30832 numMergedOcc 0
20 mol 117 unq 0 iso 0 dist 6.01857 11.1675 7.42146 14.563 9.77711 7.78789 numMergedOcc 0
21 mol 117 unq 1 iso 0 dist 9.30187 6.7814 7.78789 11.0312 9.77711 7.42146 numMergedOcc 0
22 mol 120 unq 0 iso 0 dist 8.03124 6.81949 8.38358 11.0505 5.26524 7.53694 numMergedOcc 0
23 mol 120 unq 1 iso 0 dist 9.16089 5.89379 6.42623 14.6365 8.68088 8.95899 numMergedOcc 0
24 mol 129 unq 0 iso 0 dist 7.84813 5.56946 7.97548 12.1544 5.83342 9.64164 numMergedOcc 0
25 mol 136 unq 0 iso 0 dist 9.73897 6.38418 9.92504 10.4586 3.26837 9.96485 numMergedOcc 0
26 mol 147 unq 0 iso 0 dist 8.76449 6.91778 6.73617 8.36182 3.6066 9.03544 numMergedOcc 0
27 mol 147 unq 1 iso 0 dist 8.36182 6.91778 9.03544 8.76449 3.6066 6.73617 numMergedOcc 0
28 mol 163 unq 0 iso 0 dist 9.37245 4.12904 8.16252 11.9872 3.25368 9.90947 numMergedOcc 0
29 mol 168 unq 0 iso 0 dist 8.00063 12.1014 8.92592 10.8516 3.44823 9.57452 numMergedOcc 0
30 mol 169 unq 0 iso 0 dist 9.58901 4.34424 9.37946 12.3909 9.48187 9.13646 numMergedOcc 0
31 mol 169 unq 1 iso 0 dist 9.58901 4.34424 9.37946 11.8557 12.9271 8.34216 numMergedOcc 0
32 mol 183 unq 0 iso 0 dist 5.50896 9.42381 9.1139 10.0218 5.97875 9.20677 numMergedOcc 0
33 mol 184 unq 0 iso 0 dist 9.10344 4.41193 8.22001 11.7036 10.045 9.84566 numMergedOcc 0
34 mol 213 unq 0 iso 0 dist 7.49754 4.67262 4.66576 12.6749 11.4531 9.09354 numMergedOcc 0
35 mol 218 unq 0 iso 0 dist 7.68062 4.94196 6.1896 10.7563 6.94905 6.09255 numMergedOcc 0
36 mol 253 unq 0 iso 0 dist 8.71119 11.8779 9.19385 17.1407 11.5519 7.14243 numMergedOcc 0
37 mol 253 unq 1 iso 0 dist 8.71119 11.8779 9.19385 17.6285 13.6905 5.77511 numMergedOcc 0
38 mol 253 unq 2 iso 0 dist 8.71119 11.8779 9.19385 19.2745 15.953 7.81382 numMergedOcc 0
39 mol 253 unq 3 iso 0 dist 8.71119 15.4152 9.1927 13.7898 6.8233 8.94786 numMergedOcc 0
40 mol 253 unq 4 iso 0 dist 8.71119 15.4152 9.1927 17.1407 11.5519 9.60694 numMergedOcc 0
41 mol 253 unq 5 iso 0 dist 8.71119 15.4152 9.1927 17.6285 13.6905 9.27311 numMergedOcc 0
42 mol 258 unq 0 iso 0 dist 9.60767 11.6193 5.4557 17.4576 8.40845 7.12221 numMergedOcc 0
43 mol 259 unq 0 iso 0 dist 6.69951 8.70769 8.25897 9.9749 4.6865 9.18798 numMergedOcc 0
44 mol 274 unq 0 iso 0 dist 8.25703 10.6892 8.12739 11.8712 5.57024 6.09853 numMergedOcc 0
45 mol 277 unq 0 iso 0 dist 8.72101 6.76786 5.69112 8.75619 3.75238 7.2091 numMergedOcc 0
46 mol 277 unq 1 iso 0 dist 8.75619 6.76786 7.2091 8.72101 3.75238 5.69112 numMergedOcc 0
47 mol 277 unq 2 iso 0 dist 5.11998 10.8075 5.69112 5.79925 3.75238 7.2091 numMergedOcc 0
48 mol 277 unq 3 iso 0 dist 5.79925 10.8075 7.2091 5.11998 3.75238 5.69112 numMergedOcc 0
49 mol 277 unq 4 iso 0 dist 8.55906 12.9535 7.2091 11.3414 3.75238 5.69112 numMergedOcc 0
50 mol 277 unq 5 iso 0 dist 5.55523 11.2385 7.2091 8.87837 3.75238 5.69112 numMergedOcc 0
51 mol 281 unq 0 iso 0 dist 9.13909 13.6632 7.33334 11.9913 3.77058 5.50053 numMergedOcc 0
52 mol 281 unq 1 iso 0 dist 6.82918 7.74992 5.50053 4.29351 3.77058 7.33334 numMergedOcc 0
53 mol 281 unq 2 iso 0 dist 4.29351 7.74992 7.33334 6.82918 3.77058 5.50053 numMergedOcc 0
54 mol 285 unq 0 iso 0 dist 5.28731 4.16039 5.03601 9.59733 7.33055 6.71946 numMergedOcc 0
55 mol 285 unq 1 iso 0 dist 5.28731 4.16039 5.03601 9.51087 4.55612 8.28061 numMergedOcc 0
