0 mol 43 unq 0 iso 0 dist 8.06275 5.5249 8.80331 8.60781 9.83618 10.4442 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.06275 10.4413 6.20293 8.60781 9.83618 9.49077 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 8.90024 13.9129 8.80331 12.664 9.83618 10.4442 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 8.90024 5.84171 6.20293 12.664 9.83618 9.49077 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 9.81637 11.9429 6.62496 10.5083 9.64665 4.67832 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 5.50504 7.62418 6.65721 5.31827 8.76003 5.83489 numMergedOcc 0
6 mol 61 unq 1 iso 0 dist 5.50504 6.53977 6.72123 5.31827 8.76003 7.39396 numMergedOcc 0
7 mol 70 unq 0 iso 0 dist 9.49626 15.643 9.65964 16.9284 7.92394 6.65811 numMergedOcc 0
8 mol 70 unq 1 iso 0 dist 9.49626 15.643 9.65964 17.8674 9.93423 5.47516 numMergedOcc 0
9 mol 70 unq 2 iso 0 dist 9.49626 15.643 9.65964 8.9375 9.34122 11.0952 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 9.43143 10.5786 8.8178 12.1059 6.77912 12.0644 numMergedOcc 0
11 mol 72 unq 1 iso 0 dist 9.43143 16.2349 9.96708 12.1059 6.77912 7.11552 numMergedOcc 0
12 mol 72 unq 2 iso 0 dist 5.48831 13.0773 9.96708 5.94737 7.321 9.0131 numMergedOcc 0
13 mol 72 unq 3 iso 0 dist 5.48831 10.5933 9.78528 5.94737 7.321 6.11922 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 9.9795 9.53239 7.97049 5.84688 9.47876 7.98917 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 9.9795 13.0232 6.19965 5.84688 9.47876 11.6116 numMergedOcc 0
16 mol 102 unq 0 iso 0 dist 8.84131 8.90571 7.36792 6.87786 9.94856 5.498 numMergedOcc 0
17 mol 109 unq 0 iso 0 dist 9.26438 5.68669 8.69985 10.7144 5.87358 9.46098 numMergedOcc 0
18 mol 109 unq 1 iso 0 dist 6.43255 6.80429 8.69985 9.77909 5.87358 9.46098 numMergedOcc 0
19 mol 109 unq 2 iso 0 dist 7.4389 12.3794 8.69985 8.77144 5.87358 9.46098 numMergedOcc 0
20 mol 114 unq 0 iso 0 dist 6.71345 6.49725 7.5732 11.3386 8.71128 5.80557 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 8.64107 4.82909 4.99221 10.0279 6.50039 5.60178 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 8.84656 10.879 6.37586 13.386 5.42582 5.41704 numMergedOcc 0
23 mol 134 unq 1 iso 0 dist 8.84656 16.7911 9.71307 13.386 5.42582 6.17103 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 4.9155 9.30817 6.54501 13.386 8.6355 10.1448 numMergedOcc 0
25 mol 134 unq 3 iso 0 dist 4.9155 10.879 6.49416 13.386 8.6355 5.41704 numMergedOcc 0
26 mol 134 unq 4 iso 0 dist 8.49987 6.47843 6.54501 15.6111 8.6355 10.1448 numMergedOcc 0
27 mol 134 unq 5 iso 0 dist 8.49987 10.9399 6.49416 15.6111 8.6355 5.41704 numMergedOcc 0
28 mol 134 unq 6 iso 0 dist 9.42271 6.16353 6.54501 11.8215 8.6355 10.1448 numMergedOcc 0
29 mol 134 unq 7 iso 0 dist 9.42271 7.07625 6.49416 11.8215 8.6355 5.41704 numMergedOcc 0
30 mol 142 unq 0 iso 0 dist 8.86346 16.7609 9.2313 9.01957 7.15475 9.49653 numMergedOcc 0
31 mol 142 unq 1 iso 0 dist 8.86346 13.5268 7.73169 9.01957 7.15475 7.53854 numMergedOcc 0
32 mol 142 unq 2 iso 0 dist 8.86346 12.1759 8.96657 9.01957 7.15475 10.3477 numMergedOcc 0
33 mol 142 unq 3 iso 0 dist 4.93681 12.8283 9.2313 6.17441 7.15475 9.49653 numMergedOcc 0
34 mol 142 unq 4 iso 0 dist 4.93681 10.1677 7.73169 6.17441 7.15475 7.53854 numMergedOcc 0
35 mol 142 unq 5 iso 0 dist 4.93681 10.0866 8.96657 6.17441 7.15475 10.3477 numMergedOcc 0
36 mol 152 unq 0 iso 0 dist 8.34839 5.65129 8.56324 4.99991 9.13561 5.99333 numMergedOcc 0
37 mol 152 unq 1 iso 0 dist 8.34839 10.5295 6.70283 4.99991 9.13561 8.25411 numMergedOcc 0
38 mol 152 unq 2 iso 0 dist 8.34839 10.7929 7.16148 4.99991 9.13561 7.89109 numMergedOcc 0
39 mol 178 unq 0 iso 0 dist 8.04723 14.4072 6.69288 11.7065 8.96511 10.5783 numMergedOcc 0
40 mol 178 unq 1 iso 0 dist 8.04723 13.0519 6.43573 11.7065 8.96511 5.96647 numMergedOcc 0
41 mol 178 unq 2 iso 0 dist 8.04723 10.5681 7.17202 11.7065 8.96511 12.075 numMergedOcc 0
42 mol 178 unq 3 iso 0 dist 8.04723 9.1499 8.81551 11.7065 8.96511 9.92132 numMergedOcc 0
43 mol 197 unq 0 iso 0 dist 7.70631 12.7195 8.56633 14.5382 8.99696 9.82139 numMergedOcc 0
44 mol 197 unq 1 iso 0 dist 7.70631 12.7195 8.56633 12.215 7.85058 8.72637 numMergedOcc 0
45 mol 197 unq 2 iso 0 dist 7.70631 12.7195 8.56633 16.4731 9.96638 5.69148 numMergedOcc 0
46 mol 209 unq 0 iso 0 dist 5.92907 5.35615 7.56373 10.2593 7.95911 7.19056 numMergedOcc 0
47 mol 220 unq 0 iso 0 dist 8.14644 12.2116 9.23153 8.02272 6.84247 6.7067 numMergedOcc 0
48 mol 220 unq 1 iso 0 dist 8.14644 12.2116 9.23153 9.32762 6.99002 15.9568 numMergedOcc 0
49 mol 220 unq 2 iso 0 dist 8.14644 12.2916 8.24498 8.02272 6.84247 6.05129 numMergedOcc 0
50 mol 220 unq 3 iso 0 dist 8.14644 12.2916 8.24498 9.32762 6.99002 11.1321 numMergedOcc 0
51 mol 222 unq 0 iso 0 dist 7.88846 6.17038 7.54212 5.66378 7.18956 7.61682 numMergedOcc 0
52 mol 235 unq 0 iso 0 dist 6.45574 6.70342 5.4638 5.61388 8.21247 4.65302 numMergedOcc 0
53 mol 235 unq 1 iso 0 dist 8.14407 6.01036 5.4638 6.59128 8.21247 4.65302 numMergedOcc 0
54 mol 235 unq 2 iso 0 dist 7.8128 5.49043 5.4638 7.62542 9.58736 9.66021 numMergedOcc 0
55 mol 236 unq 0 iso 0 dist 5.77925 6.59536 8.03456 11.3746 7.17676 11.8759 numMergedOcc 0
56 mol 236 unq 1 iso 0 dist 5.77925 6.59536 8.03456 5.79263 6.68463 9.07822 numMergedOcc 0
57 mol 236 unq 2 iso 0 dist 5.77925 8.93012 6.84306 11.3746 7.17676 11.3552 numMergedOcc 0
58 mol 236 unq 3 iso 0 dist 5.77925 8.93012 6.84306 5.79263 6.68463 11.6837 numMergedOcc 0
59 mol 236 unq 4 iso 0 dist 5.77925 12.1686 9.99038 11.3746 7.17676 6.04825 numMergedOcc 0
60 mol 236 unq 5 iso 0 dist 5.77925 12.1686 9.99038 5.79263 6.68463 8.8265 numMergedOcc 0
61 mol 236 unq 6 iso 0 dist 5.77925 5.48757 9.78037 11.3746 7.17676 12.6468 numMergedOcc 0
62 mol 236 unq 7 iso 0 dist 5.77925 5.48757 9.78037 5.79263 6.68463 5.80136 numMergedOcc 0
63 mol 236 unq 8 iso 0 dist 5.77925 10.5925 8.35971 11.3746 7.17676 6.40312 numMergedOcc 0
64 mol 236 unq 9 iso 0 dist 5.77925 10.5925 8.35971 5.79263 6.68463 6.2568 numMergedOcc 0
65 mol 238 unq 0 iso 0 dist 9.39537 9.53107 6.57393 7.28423 6.91569 10.9761 numMergedOcc 0
66 mol 248 unq 0 iso 0 dist 7.40475 7.63032 7.69895 10.2858 6.07192 6.48757 numMergedOcc 0
67 mol 248 unq 1 iso 0 dist 7.40475 6.42334 7.21521 10.2858 6.07192 5.51827 numMergedOcc 0
68 mol 248 unq 2 iso 0 dist 7.40475 6.86606 8.2965 10.2858 6.07192 9.29921 numMergedOcc 0
69 mol 252 unq 0 iso 0 dist 6.17985 6.79111 8.1148 7.02444 7.66365 4.23801 numMergedOcc 0
70 mol 252 unq 1 iso 0 dist 6.17985 6.02958 8.33025 7.02444 7.66365 9.37715 numMergedOcc 0
71 mol 261 unq 0 iso 0 dist 9.80409 4.63237 9.14619 9.66751 7.47164 7.49174 numMergedOcc 0
72 mol 261 unq 1 iso 0 dist 9.80409 6.39263 8.45658 9.66751 7.47164 5.22253 numMergedOcc 0
73 mol 264 unq 0 iso 0 dist 7.37999 4.72487 9.361 11.9746 9.0012 9.74238 numMergedOcc 0
74 mol 264 unq 1 iso 0 dist 7.37999 4.72487 9.361 11.2015 9.5784 9.85579 numMergedOcc 0
75 mol 264 unq 2 iso 0 dist 7.37999 11.0659 6.24356 11.9746 9.0012 5.12409 numMergedOcc 0
76 mol 264 unq 3 iso 0 dist 7.37999 11.0659 6.24356 11.2015 9.5784 9.67998 numMergedOcc 0
77 mol 264 unq 4 iso 0 dist 7.36703 5.28781 9.361 7.25333 9.0012 9.74238 numMergedOcc 0
78 mol 264 unq 5 iso 0 dist 7.36703 5.28781 9.361 10.3867 9.5784 9.85579 numMergedOcc 0
79 mol 264 unq 6 iso 0 dist 7.36703 5.91731 6.24356 7.25333 9.0012 5.12409 numMergedOcc 0
80 mol 264 unq 7 iso 0 dist 7.36703 5.91731 6.24356 10.3867 9.5784 9.67998 numMergedOcc 0
81 mol 265 unq 0 iso 0 dist 8.49415 4.05162 8.4218 9.3596 6.34034 6.43013 numMergedOcc 0
82 mol 277 unq 0 iso 0 dist 7.23956 15.6875 9.7748 12.9898 9.41725 6.58374 numMergedOcc 0
83 mol 278 unq 0 iso 0 dist 9.91518 12.8387 8.44326 7.70648 6.35287 6.07447 numMergedOcc 0
