0 mol 53 unq 0 iso 0 dist 7.09169 8.19773 4.75776 5.09224 7.75295 5.68983 9.22034 6.2676 5.04054 6.81798 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 8.03303 8.92736 8.58543 14.6243 7.62738 15.4757 8.96557 7.69861 5.24993 13.0054 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 9.81831 11.6865 5.51624 4.4022 7.62611 11.4196 16.1023 7.8435 4.97727 14.9656 numMergedOcc 0
3 mol 93 unq 1 iso 0 dist 9.81831 11.6865 5.51624 4.4022 7.62611 11.4196 13.1721 5.99269 5.77343 11.5397 numMergedOcc 0
4 mol 93 unq 2 iso 0 dist 9.81831 11.6865 5.51624 4.4022 7.62611 11.4196 9.34182 5.71763 11.0802 5.43515 numMergedOcc 0
5 mol 93 unq 3 iso 0 dist 9.81831 12.2598 7.8674 4.4022 7.62611 8.05783 16.1023 7.8435 13.8087 14.9656 numMergedOcc 0
6 mol 93 unq 4 iso 0 dist 9.81831 12.2598 7.8674 4.4022 7.62611 8.05783 13.1721 5.99269 9.96831 11.5397 numMergedOcc 0
7 mol 93 unq 5 iso 0 dist 9.81831 12.2598 7.8674 4.4022 7.62611 8.05783 9.34182 5.71763 5.33894 5.43515 numMergedOcc 0
8 mol 93 unq 6 iso 0 dist 9.12858 7.64463 5.51624 8.96224 7.62611 11.4196 12.4934 7.8435 4.97727 14.9656 numMergedOcc 0
9 mol 93 unq 7 iso 0 dist 9.12858 7.64463 5.51624 8.96224 7.62611 11.4196 11.0537 5.99269 5.77343 11.5397 numMergedOcc 0
10 mol 93 unq 8 iso 0 dist 9.12858 7.64463 5.51624 8.96224 7.62611 11.4196 12.0103 5.71763 11.0802 5.43515 numMergedOcc 0
11 mol 93 unq 9 iso 0 dist 9.12858 14.8533 7.8674 8.96224 7.62611 8.05783 12.4934 7.8435 13.8087 14.9656 numMergedOcc 0
12 mol 93 unq 10 iso 0 dist 9.12858 14.8533 7.8674 8.96224 7.62611 8.05783 11.0537 5.99269 9.96831 11.5397 numMergedOcc 0
13 mol 93 unq 11 iso 0 dist 9.12858 14.8533 7.8674 8.96224 7.62611 8.05783 12.0103 5.71763 5.33894 5.43515 numMergedOcc 0
14 mol 93 unq 12 iso 0 dist 9.4523 8.29171 5.51624 10.3849 7.62611 11.4196 10.8106 7.8435 4.97727 14.9656 numMergedOcc 0
15 mol 93 unq 13 iso 0 dist 9.4523 8.29171 5.51624 10.3849 7.62611 11.4196 7.14217 5.99269 5.77343 11.5397 numMergedOcc 0
16 mol 93 unq 14 iso 0 dist 9.4523 8.29171 5.51624 10.3849 7.62611 11.4196 12.9351 5.71763 11.0802 5.43515 numMergedOcc 0
17 mol 93 unq 15 iso 0 dist 9.4523 12.7936 7.8674 10.3849 7.62611 8.05783 10.8106 7.8435 13.8087 14.9656 numMergedOcc 0
18 mol 93 unq 16 iso 0 dist 9.4523 12.7936 7.8674 10.3849 7.62611 8.05783 7.14217 5.99269 9.96831 11.5397 numMergedOcc 0
19 mol 93 unq 17 iso 0 dist 9.4523 12.7936 7.8674 10.3849 7.62611 8.05783 12.9351 5.71763 5.33894 5.43515 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 7.77116 4.91132 8.03035 7.20179 8.8562 6.96805 6.9194 9.6121 6.71103 12.8661 numMergedOcc 0
21 mol 119 unq 1 iso 0 dist 7.77116 4.91132 8.03035 7.20179 8.8562 6.96805 9.68677 9.57341 6.29394 5.37917 numMergedOcc 0
22 mol 119 unq 2 iso 0 dist 7.77116 4.91132 8.03035 9.89358 7.91683 13.3975 6.9194 9.6121 6.71103 13.3563 numMergedOcc 0
23 mol 119 unq 3 iso 0 dist 7.77116 4.91132 8.03035 9.89358 7.91683 13.3975 9.68677 9.57341 6.29394 15.7711 numMergedOcc 0
24 mol 119 unq 4 iso 0 dist 7.77116 6.08167 7.6968 7.20179 8.8562 4.86811 6.9194 9.6121 12.4868 12.8661 numMergedOcc 0
25 mol 119 unq 5 iso 0 dist 7.77116 6.08167 7.6968 7.20179 8.8562 4.86811 9.68677 9.57341 9.64502 5.37917 numMergedOcc 0
26 mol 119 unq 6 iso 0 dist 7.77116 6.08167 7.6968 9.89358 7.91683 8.00229 6.9194 9.6121 12.4868 13.3563 numMergedOcc 0
27 mol 119 unq 7 iso 0 dist 7.77116 6.08167 7.6968 9.89358 7.91683 8.00229 9.68677 9.57341 9.64502 15.7711 numMergedOcc 0
28 mol 131 unq 0 iso 0 dist 9.15431 7.21005 7.76594 6.51918 5.44303 5.67023 4.57579 6.78801 4.24991 6.11089 numMergedOcc 0
29 mol 131 unq 1 iso 0 dist 9.15431 7.21005 7.76594 9.60968 8.50562 10.9757 4.57579 6.78801 4.24991 10.9311 numMergedOcc 0
30 mol 131 unq 2 iso 0 dist 6.92648 11.5688 7.76594 7.92788 5.44303 5.67023 8.57203 6.78801 4.24991 6.11089 numMergedOcc 0
31 mol 131 unq 3 iso 0 dist 6.92648 11.5688 7.76594 8.23791 8.50562 10.9757 8.57203 6.78801 4.24991 10.9311 numMergedOcc 0
32 mol 131 unq 4 iso 0 dist 9.29384 15.7796 7.76594 13.1439 5.44303 5.67023 12.6005 6.78801 4.24991 6.11089 numMergedOcc 0
33 mol 131 unq 5 iso 0 dist 9.29384 15.7796 7.76594 13.7237 8.50562 10.9757 12.6005 6.78801 4.24991 10.9311 numMergedOcc 0
34 mol 141 unq 0 iso 0 dist 6.69515 9.76015 8.26172 10.1386 4.46777 6.52248 13.2918 6.77921 10.2834 3.98068 numMergedOcc 0
35 mol 141 unq 1 iso 0 dist 6.69515 9.76015 8.26172 7.42649 6.94988 4.98952 13.2918 6.77921 10.2834 10.1551 numMergedOcc 0
36 mol 141 unq 2 iso 0 dist 7.86572 8.24418 8.26172 10.1432 4.46777 6.52248 13.4066 6.77921 10.2834 3.98068 numMergedOcc 0
37 mol 141 unq 3 iso 0 dist 7.86572 8.24418 8.26172 9.43674 6.94988 4.98952 13.4066 6.77921 10.2834 10.1551 numMergedOcc 0
38 mol 147 unq 0 iso 0 dist 5.49226 9.02993 9.23528 11.1681 7.25644 15.9875 12.068 9.43989 17.3765 3.88427 numMergedOcc 0
39 mol 147 unq 1 iso 0 dist 6.28351 14.4247 9.23528 5.50251 7.25644 15.9875 5.59468 9.43989 17.3765 3.88427 numMergedOcc 0
40 mol 186 unq 0 iso 0 dist 9.56197 9.27818 7.55358 9.74148 7.46987 13.1254 6.89047 8.57801 13.0608 6.18065 numMergedOcc 0
41 mol 186 unq 1 iso 0 dist 9.56197 9.55926 7.60991 9.74148 7.46987 8.74186 6.89047 8.57801 11.868 6.18065 numMergedOcc 0
42 mol 186 unq 2 iso 0 dist 7.24795 13.0197 7.55358 7.30024 7.46987 13.1254 3.90244 8.57801 13.0608 6.18065 numMergedOcc 0
43 mol 186 unq 3 iso 0 dist 7.24795 12.9082 7.60991 7.30024 7.46987 8.74186 3.90244 8.57801 11.868 6.18065 numMergedOcc 0
44 mol 186 unq 4 iso 0 dist 8.64409 4.37002 7.55358 11.6919 7.46987 13.1254 12.6058 8.57801 13.0608 6.18065 numMergedOcc 0
45 mol 186 unq 5 iso 0 dist 8.64409 4.64235 7.60991 11.6919 7.46987 8.74186 12.6058 8.57801 11.868 6.18065 numMergedOcc 0
46 mol 186 unq 6 iso 0 dist 7.60202 9.72941 7.55358 5.3967 7.46987 13.1254 7.21555 8.57801 13.0608 6.18065 numMergedOcc 0
47 mol 186 unq 7 iso 0 dist 7.60202 5.39885 7.60991 5.3967 7.46987 8.74186 7.21555 8.57801 11.868 6.18065 numMergedOcc 0
48 mol 186 unq 8 iso 0 dist 9.83476 6.87725 8.12349 10.5063 4.5271 6.16503 13.6744 7.04815 9.57029 3.87169 numMergedOcc 0
49 mol 186 unq 9 iso 0 dist 9.83476 6.87725 8.12349 10.5063 4.5271 6.16503 15.0914 6.07389 10.8203 5.65634 numMergedOcc 0
50 mol 186 unq 10 iso 0 dist 9.83476 6.87725 8.12349 14.4429 7.02575 9.6472 13.6744 7.04815 9.57029 8.65911 numMergedOcc 0
51 mol 186 unq 11 iso 0 dist 9.83476 6.87725 8.12349 14.4429 7.02575 9.6472 15.0914 6.07389 10.8203 3.87082 numMergedOcc 0
52 mol 194 unq 0 iso 0 dist 6.26839 6.66155 5.52678 11.6598 5.68348 8.43261 10.0756 5.53324 5.28603 4.002 numMergedOcc 0
53 mol 194 unq 1 iso 0 dist 6.26839 6.66155 5.52678 11.6598 5.68348 8.43261 11.8031 6.72182 9.8803 7.41775 numMergedOcc 0
54 mol 194 unq 2 iso 0 dist 6.26839 5.4499 9.81666 11.6598 5.68348 13.8424 10.0756 5.53324 11.0713 4.002 numMergedOcc 0
55 mol 194 unq 3 iso 0 dist 6.26839 5.4499 9.81666 11.6598 5.68348 13.8424 11.8031 6.72182 15.9964 7.41775 numMergedOcc 0
56 mol 194 unq 4 iso 0 dist 8.12346 6.12973 5.52678 12.0887 5.68348 8.43261 10.2793 5.53324 5.28603 4.002 numMergedOcc 0
57 mol 194 unq 5 iso 0 dist 8.12346 6.12973 5.52678 12.0887 5.68348 8.43261 9.09233 6.72182 9.8803 7.41775 numMergedOcc 0
58 mol 194 unq 6 iso 0 dist 8.12346 11.0239 9.81666 12.0887 5.68348 13.8424 10.2793 5.53324 11.0713 4.002 numMergedOcc 0
59 mol 194 unq 7 iso 0 dist 8.12346 11.0239 9.81666 12.0887 5.68348 13.8424 9.09233 6.72182 15.9964 7.41775 numMergedOcc 0
60 mol 194 unq 8 iso 0 dist 8.83356 13.0333 5.52678 7.11753 5.68348 8.43261 10.463 5.53324 5.28603 4.002 numMergedOcc 0
61 mol 194 unq 9 iso 0 dist 8.83356 13.0333 5.52678 7.11753 5.68348 8.43261 4.66791 6.72182 9.8803 7.41775 numMergedOcc 0
62 mol 194 unq 10 iso 0 dist 8.83356 18.6469 9.81666 7.11753 5.68348 13.8424 10.463 5.53324 11.0713 4.002 numMergedOcc 0
63 mol 194 unq 11 iso 0 dist 8.83356 18.6469 9.81666 7.11753 5.68348 13.8424 4.66791 6.72182 15.9964 7.41775 numMergedOcc 0
64 mol 194 unq 12 iso 0 dist 8.2654 10.1796 5.52678 12.8755 5.68348 8.43261 12.8494 5.53324 5.28603 4.002 numMergedOcc 0
65 mol 194 unq 13 iso 0 dist 8.2654 10.1796 5.52678 12.8755 5.68348 8.43261 7.73551 6.72182 9.8803 7.41775 numMergedOcc 0
66 mol 194 unq 14 iso 0 dist 8.2654 13.5457 9.81666 12.8755 5.68348 13.8424 12.8494 5.53324 11.0713 4.002 numMergedOcc 0
67 mol 194 unq 15 iso 0 dist 8.2654 13.5457 9.81666 12.8755 5.68348 13.8424 7.73551 6.72182 15.9964 7.41775 numMergedOcc 0
68 mol 218 unq 0 iso 0 dist 8.86175 9.46742 9.06334 4.92618 9.32945 7.21841 3.8877 8.04838 7.92114 6.95765 numMergedOcc 0
69 mol 218 unq 1 iso 0 dist 6.29511 11.438 9.06334 7.84019 9.32945 7.21841 6.0516 8.04838 7.92114 6.95765 numMergedOcc 0
70 mol 225 unq 0 iso 0 dist 8.87609 11.5135 6.53728 5.76292 9.23935 14.3973 17.3148 9.87668 6.35462 18.9885 numMergedOcc 0
71 mol 225 unq 1 iso 0 dist 8.87609 11.5135 6.53728 5.76292 9.23935 14.3973 13.3773 8.42121 5.94765 16.1303 numMergedOcc 0
72 mol 225 unq 2 iso 0 dist 8.87609 11.5135 6.53728 5.76292 9.23935 14.3973 3.97158 7.8744 11.6976 3.94409 numMergedOcc 0
73 mol 225 unq 3 iso 0 dist 8.87609 11.5135 6.53728 5.76292 9.23935 14.3973 9.9875 4.98402 11.2847 7.96454 numMergedOcc 0
74 mol 225 unq 4 iso 0 dist 8.87609 11.5135 6.53728 8.21235 7.77552 13.923 17.3148 9.87668 6.35462 17.5145 numMergedOcc 0
75 mol 225 unq 5 iso 0 dist 8.87609 11.5135 6.53728 8.21235 7.77552 13.923 13.3773 8.42121 5.94765 14.5337 numMergedOcc 0
76 mol 225 unq 6 iso 0 dist 8.87609 11.5135 6.53728 8.21235 7.77552 13.923 3.97158 7.8744 11.6976 6.88465 numMergedOcc 0
77 mol 225 unq 7 iso 0 dist 8.87609 11.5135 6.53728 8.21235 7.77552 13.923 9.9875 4.98402 11.2847 4.45116 numMergedOcc 0
78 mol 264 unq 0 iso 0 dist 6.04162 6.84156 5.74568 6.26382 7.21655 11.5512 11.4167 7.14086 7.36132 13.0036 numMergedOcc 0
79 mol 264 unq 1 iso 0 dist 6.14323 9.37297 5.74568 5.24812 7.21655 11.5512 13.2035 7.14086 7.36132 13.0036 numMergedOcc 0
