0 mol 16 unq 0 iso 0 dist 8.33883 5.38671 5.05803 5.77753 6.2983 7.03948 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.33883 5.45161 6.31718 5.77753 6.2983 5.47769 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.84983 11.5882 6.62496 16.5678 10.2241 9.58673 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 9.56737 11.5882 6.35756 16.5678 7.05413 9.58673 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.68526 8.31041 9.38498 9.51458 13.4082 8.70133 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 9.72442 11.7069 9.38498 10.9127 13.4082 8.70133 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 6.89722 10.4716 9.96396 6.4154 7.41074 8.70133 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 6.89722 5.2774 6.19304 6.4154 7.41074 4.65521 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 7.26679 8.31041 9.96396 9.51458 7.41074 8.70133 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 7.26679 5.44275 6.19304 9.51458 7.41074 4.65521 numMergedOcc 0
10 mol 73 unq 6 iso 0 dist 9.30776 8.31041 9.75218 9.51458 15.9882 8.70133 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 4.98104 10.7572 7.4729 11.3299 6.99832 5.81965 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 4.98104 5.50764 6.82344 11.3299 6.99832 9.70512 numMergedOcc 0
13 mol 102 unq 0 iso 0 dist 9.01767 6.42572 7.36792 11.9326 5.498 9.94856 numMergedOcc 0
14 mol 102 unq 1 iso 0 dist 9.80678 5.54551 7.36792 9.50209 5.498 9.94856 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 6.86946 5.889 4.99221 5.52706 5.60178 6.50039 numMergedOcc 0
16 mol 117 unq 0 iso 0 dist 9.85576 10.4589 7.90328 12.907 4.91401 6.62561 numMergedOcc 0
17 mol 117 unq 1 iso 0 dist 9.85576 14.2649 7.83136 12.907 4.91401 7.63616 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 6.49205 5.19198 6.18601 13.9827 9.35964 9.80862 numMergedOcc 0
19 mol 119 unq 1 iso 0 dist 6.49205 5.19198 6.18601 12.9568 10.3457 8.43904 numMergedOcc 0
20 mol 119 unq 2 iso 0 dist 9.42766 14.0677 8.73993 19.0836 10.6679 9.63176 numMergedOcc 0
21 mol 126 unq 0 iso 0 dist 9.06961 9.07346 6.06638 11.7153 7.01257 7.75534 numMergedOcc 0
22 mol 127 unq 0 iso 0 dist 8.40046 9.75166 9.30299 8.03243 14.085 8.59981 numMergedOcc 0
23 mol 127 unq 1 iso 0 dist 8.40046 9.75166 9.30299 14.4347 13.1312 7.34519 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 8.89982 13.2491 8.56324 14.5136 5.99333 9.13561 numMergedOcc 0
25 mol 156 unq 0 iso 0 dist 7.30021 5.0966 7.44554 11.6317 6.29785 9.36805 numMergedOcc 0
26 mol 156 unq 1 iso 0 dist 7.30021 12.865 9.83699 11.6317 6.29785 7.55203 numMergedOcc 0
27 mol 156 unq 2 iso 0 dist 9.16591 9.27577 9.83699 8.57453 4.53931 6.27641 numMergedOcc 0
28 mol 175 unq 0 iso 0 dist 8.69888 11.5099 9.0018 17.6319 11.0415 9.31887 numMergedOcc 0
29 mol 175 unq 1 iso 0 dist 8.69888 5.50014 5.6234 12.616 5.28109 9.0664 numMergedOcc 0
30 mol 175 unq 2 iso 0 dist 5.08206 12.1783 9.0018 14.1664 11.0415 9.31887 numMergedOcc 0
31 mol 175 unq 3 iso 0 dist 5.08206 7.28617 5.6234 9.95921 5.28109 9.0664 numMergedOcc 0
32 mol 182 unq 0 iso 0 dist 7.86625 5.40949 9.31746 9.23118 11.1088 6.73313 numMergedOcc 0
33 mol 214 unq 0 iso 0 dist 8.49704 10.644 8.85478 6.35728 6.67959 7.46831 numMergedOcc 0
34 mol 220 unq 0 iso 0 dist 9.8711 4.90657 9.23153 10.4686 6.7067 6.84247 numMergedOcc 0
35 mol 220 unq 1 iso 0 dist 9.8711 4.90657 9.23153 10.0817 15.9568 6.99002 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 8.7347 4.28891 7.54212 5.04916 7.61682 7.18956 numMergedOcc 0
37 mol 224 unq 0 iso 0 dist 9.75313 6.46679 6.61986 9.04427 10.7113 8.19953 numMergedOcc 0
38 mol 224 unq 1 iso 0 dist 6.08709 7.85135 6.61986 15.1149 10.7113 8.19953 numMergedOcc 0
39 mol 224 unq 2 iso 0 dist 6.56437 14.2632 8.95269 14.4755 7.98696 6.87664 numMergedOcc 0
40 mol 224 unq 3 iso 0 dist 6.23882 15.0038 8.95269 12.5784 7.98696 6.87664 numMergedOcc 0
41 mol 224 unq 4 iso 0 dist 9.53131 9.59595 8.95269 13.7859 7.98696 6.87664 numMergedOcc 0
42 mol 224 unq 5 iso 0 dist 9.34636 5.63485 8.95269 8.60781 7.98696 6.87664 numMergedOcc 0
43 mol 224 unq 6 iso 0 dist 9.33771 5.41021 8.95269 10.8214 9.36098 7.06793 numMergedOcc 0
44 mol 224 unq 7 iso 0 dist 9.33771 5.41021 8.95269 6.4508 5.29877 6.67585 numMergedOcc 0
45 mol 224 unq 8 iso 0 dist 9.33771 4.91322 6.57273 6.4508 5.29877 6.65984 numMergedOcc 0
46 mol 224 unq 9 iso 0 dist 7.39839 4.91322 6.60589 6.4508 6.12232 6.65984 numMergedOcc 0
47 mol 224 unq 10 iso 0 dist 9.79616 5.63485 6.57273 8.60781 7.12232 6.87664 numMergedOcc 0
48 mol 224 unq 11 iso 0 dist 9.29703 4.8786 5.78342 11.0076 5.3621 6.87664 numMergedOcc 0
49 mol 227 unq 0 iso 0 dist 9.17826 14.9329 7.22101 8.34104 6.43754 8.17891 numMergedOcc 0
50 mol 227 unq 1 iso 0 dist 9.17826 13.2783 8.65997 13.6158 14.6185 9.62609 numMergedOcc 0
51 mol 227 unq 2 iso 0 dist 9.17826 13.2783 8.65997 8.34104 6.43754 6.95902 numMergedOcc 0
52 mol 227 unq 3 iso 0 dist 9.17826 11.4528 7.55216 17.5201 11.662 8.83563 numMergedOcc 0
53 mol 227 unq 4 iso 0 dist 9.64299 7.69739 7.09863 14.2244 9.13836 8.17891 numMergedOcc 0
54 mol 234 unq 0 iso 0 dist 5.89084 4.74041 6.56247 10.6283 11.216 6.25105 numMergedOcc 0
55 mol 234 unq 1 iso 0 dist 5.89084 6.16697 9.45496 14.0153 15.9563 9.5707 numMergedOcc 0
56 mol 234 unq 2 iso 0 dist 5.89084 6.16697 9.45496 10.6283 11.216 7.85175 numMergedOcc 0
57 mol 234 unq 3 iso 0 dist 8.47009 4.74041 9.36357 10.6283 11.4315 6.25105 numMergedOcc 0
58 mol 234 unq 4 iso 0 dist 8.47009 6.16697 6.7625 14.0153 14.4106 9.5707 numMergedOcc 0
59 mol 234 unq 5 iso 0 dist 8.47009 6.16697 6.7625 10.6283 11.4315 7.85175 numMergedOcc 0
60 mol 236 unq 0 iso 0 dist 8.77254 10.054 8.35971 13.6012 6.40312 7.17676 numMergedOcc 0
61 mol 236 unq 1 iso 0 dist 8.77254 10.054 8.35971 9.96007 6.2568 6.68463 numMergedOcc 0
62 mol 238 unq 0 iso 0 dist 9.75174 13.477 6.57393 12.9258 6.20606 5.38637 numMergedOcc 0
63 mol 238 unq 1 iso 0 dist 6.83152 10.8336 6.57393 16.8927 10.9761 6.91569 numMergedOcc 0
64 mol 248 unq 0 iso 0 dist 8.71859 4.53213 7.69895 12.7138 10.1857 8.50864 numMergedOcc 0
65 mol 252 unq 0 iso 0 dist 9.73021 16.5881 8.33025 13.899 9.37715 7.66365 numMergedOcc 0
66 mol 259 unq 0 iso 0 dist 7.93997 14.8465 7.46176 9.27954 5.79468 7.48005 numMergedOcc 0
67 mol 264 unq 0 iso 0 dist 6.75305 10.0289 6.24356 9.67417 5.12409 9.0012 numMergedOcc 0
68 mol 264 unq 1 iso 0 dist 6.75305 10.0289 6.24356 13.3898 9.67998 9.5784 numMergedOcc 0
69 mol 274 unq 0 iso 0 dist 9.696 5.1874 8.49997 5.12523 6.8406 7.97444 numMergedOcc 0
70 mol 282 unq 0 iso 0 dist 5.67266 9.63727 8.04483 10.0733 6.3384 6.85028 numMergedOcc 0
71 mol 282 unq 1 iso 0 dist 5.67266 5.04235 6.33524 10.0733 6.3384 7.32347 numMergedOcc 0
72 mol 282 unq 2 iso 0 dist 5.80981 9.60898 8.04483 11.4393 6.3384 6.85028 numMergedOcc 0
73 mol 282 unq 3 iso 0 dist 5.80981 8.37652 6.33524 11.4393 6.3384 7.32347 numMergedOcc 0
74 mol 282 unq 4 iso 0 dist 9.63346 4.85461 8.04483 5.2527 6.3384 6.85028 numMergedOcc 0
75 mol 282 unq 5 iso 0 dist 9.63346 8.85797 6.33524 5.2527 6.3384 7.32347 numMergedOcc 0
