0 mol 26 unq 0 iso 0 dist 8.44506 10.9837 9.5053 7.11305 6.38243 4.76998 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 7.09169 5.09224 7.75295 9.22034 6.2676 6.81798 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.27383 5.85698 6.62229 4.00553 6.87028 5.45005 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.03303 14.6243 7.62738 8.96557 7.69861 13.0054 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 9.81831 4.4022 7.62611 16.1023 7.8435 14.9656 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 9.81831 4.4022 7.62611 13.1721 5.99269 11.5397 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 9.81831 4.4022 7.62611 9.34182 5.71763 5.43515 numMergedOcc 0
7 mol 93 unq 3 iso 0 dist 9.12858 8.96224 7.62611 12.4934 7.8435 14.9656 numMergedOcc 0
8 mol 93 unq 4 iso 0 dist 9.12858 8.96224 7.62611 11.0537 5.99269 11.5397 numMergedOcc 0
9 mol 93 unq 5 iso 0 dist 9.12858 8.96224 7.62611 12.0103 5.71763 5.43515 numMergedOcc 0
10 mol 93 unq 6 iso 0 dist 9.4523 10.3849 7.62611 10.8106 7.8435 14.9656 numMergedOcc 0
11 mol 93 unq 7 iso 0 dist 9.4523 10.3849 7.62611 7.14217 5.99269 11.5397 numMergedOcc 0
12 mol 93 unq 8 iso 0 dist 9.4523 10.3849 7.62611 12.9351 5.71763 5.43515 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 7.26086 7.06961 8.43352 3.9764 8.75597 3.94967 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 7.77116 7.20179 8.8562 6.9194 9.6121 12.8661 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 7.77116 7.20179 8.8562 9.68677 9.57341 5.37917 numMergedOcc 0
16 mol 119 unq 2 iso 0 dist 7.77116 9.89358 7.91683 6.9194 9.6121 13.3563 numMergedOcc 0
17 mol 119 unq 3 iso 0 dist 7.77116 9.89358 7.91683 9.68677 9.57341 15.7711 numMergedOcc 0
18 mol 126 unq 0 iso 0 dist 9.46588 6.0268 5.94233 10.7549 8.66815 5.50104 numMergedOcc 0
19 mol 126 unq 1 iso 0 dist 9.46588 8.01268 8.56219 10.7549 8.66815 7.02562 numMergedOcc 0
20 mol 130 unq 0 iso 0 dist 9.28592 8.01932 9.13191 8.14075 8.24966 6.39648 numMergedOcc 0
21 mol 130 unq 1 iso 0 dist 9.28592 6.75397 6.95405 8.14075 8.24966 10.3272 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 9.15431 6.51918 5.44303 4.57579 6.78801 6.11089 numMergedOcc 0
23 mol 131 unq 1 iso 0 dist 9.15431 9.60968 8.50562 4.57579 6.78801 10.9311 numMergedOcc 0
24 mol 131 unq 2 iso 0 dist 6.92648 7.92788 5.44303 8.57203 6.78801 6.11089 numMergedOcc 0
25 mol 131 unq 3 iso 0 dist 6.92648 8.23791 8.50562 8.57203 6.78801 10.9311 numMergedOcc 0
26 mol 131 unq 4 iso 0 dist 9.29384 13.1439 5.44303 12.6005 6.78801 6.11089 numMergedOcc 0
27 mol 131 unq 5 iso 0 dist 9.29384 13.7237 8.50562 12.6005 6.78801 10.9311 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 7.36779 7.1797 9.30061 14.2036 8.48313 16.1483 numMergedOcc 0
29 mol 134 unq 1 iso 0 dist 7.36779 7.1797 9.30061 10.092 6.99345 11.5269 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 7.36779 7.1797 9.30061 4.46337 5.11043 6.93712 numMergedOcc 0
31 mol 134 unq 3 iso 0 dist 8.20836 4.57832 9.30061 16.4114 8.48313 16.1483 numMergedOcc 0
32 mol 134 unq 4 iso 0 dist 8.20836 4.57832 9.30061 12.8086 6.99345 11.5269 numMergedOcc 0
33 mol 134 unq 5 iso 0 dist 8.20836 4.57832 9.30061 7.41373 5.11043 6.93712 numMergedOcc 0
34 mol 141 unq 0 iso 0 dist 6.69515 10.1386 4.46777 13.2918 6.77921 3.98068 numMergedOcc 0
35 mol 141 unq 1 iso 0 dist 6.69515 7.42649 6.94988 13.2918 6.77921 10.1551 numMergedOcc 0
36 mol 141 unq 2 iso 0 dist 7.86572 10.1432 4.46777 13.4066 6.77921 3.98068 numMergedOcc 0
37 mol 141 unq 3 iso 0 dist 7.86572 9.43674 6.94988 13.4066 6.77921 10.1551 numMergedOcc 0
38 mol 147 unq 0 iso 0 dist 5.49226 11.1681 7.25644 12.068 9.43989 3.88427 numMergedOcc 0
39 mol 147 unq 1 iso 0 dist 6.28351 5.50251 7.25644 5.59468 9.43989 3.88427 numMergedOcc 0
40 mol 158 unq 0 iso 0 dist 7.88319 6.4079 6.76055 13.7172 6.11331 11.3715 numMergedOcc 0
41 mol 158 unq 1 iso 0 dist 7.88319 4.25067 9.36343 13.7172 6.11331 14.1217 numMergedOcc 0
42 mol 186 unq 0 iso 0 dist 9.56197 9.74148 7.46987 6.89047 8.57801 6.18065 numMergedOcc 0
43 mol 186 unq 1 iso 0 dist 7.24795 7.30024 7.46987 3.90244 8.57801 6.18065 numMergedOcc 0
44 mol 186 unq 2 iso 0 dist 8.64409 11.6919 7.46987 12.6058 8.57801 6.18065 numMergedOcc 0
45 mol 186 unq 3 iso 0 dist 7.60202 5.3967 7.46987 7.21555 8.57801 6.18065 numMergedOcc 0
46 mol 186 unq 4 iso 0 dist 9.83476 10.5063 4.5271 13.6744 7.04815 3.87169 numMergedOcc 0
47 mol 186 unq 5 iso 0 dist 9.83476 10.5063 4.5271 15.0914 6.07389 5.65634 numMergedOcc 0
48 mol 186 unq 6 iso 0 dist 9.83476 14.4429 7.02575 13.6744 7.04815 8.65911 numMergedOcc 0
49 mol 186 unq 7 iso 0 dist 9.83476 14.4429 7.02575 15.0914 6.07389 3.87082 numMergedOcc 0
50 mol 194 unq 0 iso 0 dist 6.26839 11.6598 5.68348 10.0756 5.53324 4.002 numMergedOcc 0
51 mol 194 unq 1 iso 0 dist 6.26839 11.6598 5.68348 11.8031 6.72182 7.41775 numMergedOcc 0
52 mol 194 unq 2 iso 0 dist 8.12346 12.0887 5.68348 10.2793 5.53324 4.002 numMergedOcc 0
53 mol 194 unq 3 iso 0 dist 8.12346 12.0887 5.68348 9.09233 6.72182 7.41775 numMergedOcc 0
54 mol 194 unq 4 iso 0 dist 8.83356 7.11753 5.68348 10.463 5.53324 4.002 numMergedOcc 0
55 mol 194 unq 5 iso 0 dist 8.83356 7.11753 5.68348 4.66791 6.72182 7.41775 numMergedOcc 0
56 mol 194 unq 6 iso 0 dist 8.2654 12.8755 5.68348 12.8494 5.53324 4.002 numMergedOcc 0
57 mol 194 unq 7 iso 0 dist 8.2654 12.8755 5.68348 7.73551 6.72182 7.41775 numMergedOcc 0
58 mol 196 unq 0 iso 0 dist 8.20691 8.61276 8.57986 6.29158 6.25813 7.91487 numMergedOcc 0
59 mol 210 unq 0 iso 0 dist 7.63018 5.85636 5.57779 11.3763 9.14831 12.2656 numMergedOcc 0
60 mol 210 unq 1 iso 0 dist 7.63018 10.0337 7.05649 11.3763 9.14831 7.76842 numMergedOcc 0
61 mol 210 unq 2 iso 0 dist 7.63018 7.67559 6.78579 11.3763 9.14831 3.93305 numMergedOcc 0
62 mol 218 unq 0 iso 0 dist 8.86175 4.92618 9.32945 3.8877 8.04838 6.95765 numMergedOcc 0
63 mol 218 unq 1 iso 0 dist 6.29511 7.84019 9.32945 6.0516 8.04838 6.95765 numMergedOcc 0
64 mol 222 unq 0 iso 0 dist 9.2581 5.89689 9.08955 9.01393 7.97027 4.67663 numMergedOcc 0
65 mol 222 unq 1 iso 0 dist 9.2581 5.89689 9.08955 6.25425 6.81955 9.32357 numMergedOcc 0
66 mol 222 unq 2 iso 0 dist 9.2581 5.89689 9.08955 5.64455 4.9876 6.37382 numMergedOcc 0
67 mol 222 unq 3 iso 0 dist 9.2581 8.92719 8.88664 9.01393 7.97027 4.00869 numMergedOcc 0
68 mol 222 unq 4 iso 0 dist 9.2581 8.92719 8.88664 6.25425 6.81955 12.2233 numMergedOcc 0
69 mol 222 unq 5 iso 0 dist 9.2581 8.92719 8.88664 5.64455 4.9876 9.60662 numMergedOcc 0
70 mol 222 unq 6 iso 0 dist 9.2581 5.82526 7.16819 9.01393 7.97027 6.23984 numMergedOcc 0
71 mol 222 unq 7 iso 0 dist 9.2581 5.82526 7.16819 6.25425 6.81955 8.87178 numMergedOcc 0
72 mol 222 unq 8 iso 0 dist 9.2581 5.82526 7.16819 5.64455 4.9876 7.13962 numMergedOcc 0
73 mol 222 unq 9 iso 0 dist 9.62632 10.6944 9.08955 13.3586 7.97027 4.67663 numMergedOcc 0
74 mol 222 unq 10 iso 0 dist 9.62632 10.6944 9.08955 5.16212 6.81955 9.32357 numMergedOcc 0
75 mol 222 unq 11 iso 0 dist 9.62632 10.6944 9.08955 5.9478 4.9876 6.37382 numMergedOcc 0
76 mol 222 unq 12 iso 0 dist 9.62632 15.4372 8.88664 13.3586 7.97027 4.00869 numMergedOcc 0
77 mol 222 unq 13 iso 0 dist 9.62632 15.4372 8.88664 5.16212 6.81955 12.2233 numMergedOcc 0
78 mol 222 unq 14 iso 0 dist 9.62632 15.4372 8.88664 5.9478 4.9876 9.60662 numMergedOcc 0
79 mol 222 unq 15 iso 0 dist 9.62632 12.9388 7.16819 13.3586 7.97027 6.23984 numMergedOcc 0
80 mol 222 unq 16 iso 0 dist 9.62632 12.9388 7.16819 5.16212 6.81955 8.87178 numMergedOcc 0
81 mol 222 unq 17 iso 0 dist 9.62632 12.9388 7.16819 5.9478 4.9876 7.13962 numMergedOcc 0
82 mol 222 unq 18 iso 0 dist 7.862 7.75466 9.08955 8.84507 7.97027 4.67663 numMergedOcc 0
83 mol 222 unq 19 iso 0 dist 7.862 7.75466 9.08955 8.67203 6.81955 9.32357 numMergedOcc 0
84 mol 222 unq 20 iso 0 dist 7.862 7.75466 9.08955 6.02502 4.9876 6.37382 numMergedOcc 0
85 mol 222 unq 21 iso 0 dist 7.862 12.1951 8.88664 8.84507 7.97027 4.00869 numMergedOcc 0
86 mol 222 unq 22 iso 0 dist 7.862 12.1951 8.88664 8.67203 6.81955 12.2233 numMergedOcc 0
87 mol 222 unq 23 iso 0 dist 7.862 12.1951 8.88664 6.02502 4.9876 9.60662 numMergedOcc 0
88 mol 222 unq 24 iso 0 dist 7.862 11.6161 7.16819 8.84507 7.97027 6.23984 numMergedOcc 0
89 mol 222 unq 25 iso 0 dist 7.862 11.6161 7.16819 8.67203 6.81955 8.87178 numMergedOcc 0
90 mol 222 unq 26 iso 0 dist 7.862 11.6161 7.16819 6.02502 4.9876 7.13962 numMergedOcc 0
91 mol 225 unq 0 iso 0 dist 8.87609 5.76292 9.23935 17.3148 9.87668 18.9885 numMergedOcc 0
92 mol 225 unq 1 iso 0 dist 8.87609 5.76292 9.23935 13.3773 8.42121 16.1303 numMergedOcc 0
93 mol 225 unq 2 iso 0 dist 8.87609 5.76292 9.23935 3.97158 7.8744 3.94409 numMergedOcc 0
94 mol 225 unq 3 iso 0 dist 8.87609 5.76292 9.23935 9.9875 4.98402 7.96454 numMergedOcc 0
95 mol 225 unq 4 iso 0 dist 8.87609 8.21235 7.77552 17.3148 9.87668 17.5145 numMergedOcc 0
96 mol 225 unq 5 iso 0 dist 8.87609 8.21235 7.77552 13.3773 8.42121 14.5337 numMergedOcc 0
97 mol 225 unq 6 iso 0 dist 8.87609 8.21235 7.77552 3.97158 7.8744 6.88465 numMergedOcc 0
98 mol 225 unq 7 iso 0 dist 8.87609 8.21235 7.77552 9.9875 4.98402 4.45116 numMergedOcc 0
99 mol 227 unq 0 iso 0 dist 5.87815 6.67321 7.95359 5.73883 9.71916 4.29073 numMergedOcc 0
100 mol 230 unq 0 iso 0 dist 6.41286 6.33877 8.34416 9.70574 7.07833 6.1373 numMergedOcc 0
101 mol 230 unq 1 iso 0 dist 6.41286 5.0515 6.34832 9.70574 7.07833 6.19535 numMergedOcc 0
102 mol 264 unq 0 iso 0 dist 6.04162 6.26382 7.21655 11.4167 7.14086 13.0036 numMergedOcc 0
103 mol 264 unq 1 iso 0 dist 6.14323 5.24812 7.21655 13.2035 7.14086 13.0036 numMergedOcc 0
104 mol 279 unq 0 iso 0 dist 8.29305 9.37316 9.30921 6.5644 5.8304 11.0079 numMergedOcc 0
105 mol 279 unq 1 iso 0 dist 8.29305 9.37316 9.30921 8.70069 7.37478 9.53157 numMergedOcc 0
106 mol 279 unq 2 iso 0 dist 6.43341 5.58929 9.30921 9.40912 5.8304 11.0079 numMergedOcc 0
107 mol 279 unq 3 iso 0 dist 6.43341 5.58929 9.30921 4.14939 7.37478 9.53157 numMergedOcc 0
