0 mol 5 unq 0 iso 0 dist 5.18743 5.0634 7.56866 6.46777 8.68577 6.62108 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 5.18743 5.0634 7.56866 3.82801 8.13672 6.81491 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 9.76233 9.12768 5.47299 11.8533 6.83186 7.27588 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 6.14086 4.81564 5.42412 6.82151 8.53424 9.64948 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 6.76158 6.18197 5.42412 4.3475 8.53424 9.64948 numMergedOcc 0
5 mol 28 unq 2 iso 0 dist 6.31487 4.81564 8.09862 6.82151 7.08766 9.64948 numMergedOcc 0
6 mol 28 unq 3 iso 0 dist 6.31487 12.7577 8.97167 6.82151 7.08766 10.1805 numMergedOcc 0
7 mol 28 unq 4 iso 0 dist 7.423 6.18197 8.09862 4.3475 7.08766 9.64948 numMergedOcc 0
8 mol 28 unq 5 iso 0 dist 7.423 13.6562 8.97167 4.3475 7.08766 10.1805 numMergedOcc 0
9 mol 28 unq 6 iso 0 dist 7.07851 4.81564 8.89114 6.82151 4.82199 9.64948 numMergedOcc 0
10 mol 28 unq 7 iso 0 dist 7.07851 12.7577 8.8182 6.82151 4.82199 10.1805 numMergedOcc 0
11 mol 28 unq 8 iso 0 dist 5.89257 6.18197 8.89114 4.3475 4.82199 9.64948 numMergedOcc 0
12 mol 28 unq 9 iso 0 dist 5.89257 13.6562 8.8182 4.3475 4.82199 10.1805 numMergedOcc 0
13 mol 46 unq 0 iso 0 dist 7.12713 4.50032 7.44805 4.64633 3.77542 6.81182 numMergedOcc 0
14 mol 46 unq 1 iso 0 dist 7.12713 4.50032 7.44805 13.8401 9.97314 16.1056 numMergedOcc 0
15 mol 48 unq 0 iso 0 dist 9.80453 15.0045 7.90416 8.42234 9.05737 9.165 numMergedOcc 0
16 mol 62 unq 0 iso 0 dist 5.23167 4.29159 7.01397 3.89181 4.46067 7.90686 numMergedOcc 0
17 mol 62 unq 1 iso 0 dist 7.47607 7.59441 7.01397 5.72955 4.46067 7.90686 numMergedOcc 0
18 mol 76 unq 0 iso 0 dist 8.26805 4.77004 9.50939 6.27527 7.66068 8.58474 numMergedOcc 0
19 mol 85 unq 0 iso 0 dist 7.61514 9.04544 8.67342 10.8634 6.67137 4.8069 numMergedOcc 0
20 mol 85 unq 1 iso 0 dist 7.61514 9.04544 8.67342 15.0522 9.78707 18.1303 numMergedOcc 0
21 mol 85 unq 2 iso 0 dist 7.61514 4.11312 5.73739 10.8634 6.67137 10.0178 numMergedOcc 0
22 mol 85 unq 3 iso 0 dist 7.61514 4.11312 5.73739 15.0522 9.78707 12.1664 numMergedOcc 0
23 mol 85 unq 4 iso 0 dist 8.21116 9.04544 8.60062 13.6965 7.07839 11.1042 numMergedOcc 0
24 mol 85 unq 5 iso 0 dist 8.21116 9.04544 8.60062 12.6759 7.91193 10.9585 numMergedOcc 0
25 mol 85 unq 6 iso 0 dist 8.21116 9.04544 8.60062 10.513 9.09711 7.55572 numMergedOcc 0
26 mol 85 unq 7 iso 0 dist 8.21116 9.04544 8.60062 10.8634 7.04244 4.8069 numMergedOcc 0
27 mol 85 unq 8 iso 0 dist 8.21116 9.04544 8.60062 15.0522 9.63449 18.1303 numMergedOcc 0
28 mol 85 unq 9 iso 0 dist 8.21116 4.11312 5.16225 13.6965 7.07839 10.0529 numMergedOcc 0
29 mol 85 unq 10 iso 0 dist 8.21116 4.11312 5.16225 12.6759 7.91193 9.0874 numMergedOcc 0
30 mol 85 unq 11 iso 0 dist 8.21116 4.11312 5.16225 10.513 9.09711 8.41797 numMergedOcc 0
31 mol 85 unq 12 iso 0 dist 8.21116 4.11312 5.16225 10.8634 7.04244 10.0178 numMergedOcc 0
32 mol 85 unq 13 iso 0 dist 8.21116 4.11312 5.16225 15.0522 9.63449 12.1664 numMergedOcc 0
33 mol 90 unq 0 iso 0 dist 7.30934 9.63545 7.01987 4.3421 5.24346 6.65219 numMergedOcc 0
34 mol 143 unq 0 iso 0 dist 5.24882 5.57673 6.38786 6.03327 4.3855 3.66518 numMergedOcc 0
35 mol 168 unq 0 iso 0 dist 8.47439 7.36888 5.52214 4.18108 5.28353 3.60864 numMergedOcc 0
36 mol 169 unq 0 iso 0 dist 6.18165 12.2667 6.27378 6.5732 5.10589 10.1931 numMergedOcc 0
37 mol 169 unq 1 iso 0 dist 6.18165 12.2667 6.27378 4.14139 4.63336 10.5136 numMergedOcc 0
38 mol 169 unq 2 iso 0 dist 6.18165 12.2667 6.27378 7.73206 6.10715 10.212 numMergedOcc 0
39 mol 176 unq 0 iso 0 dist 6.32254 13.0176 9.60931 4.03856 8.65645 12.3453 numMergedOcc 0
40 mol 176 unq 1 iso 0 dist 6.32254 13.0176 9.60931 5.25264 6.85902 11.2094 numMergedOcc 0
41 mol 176 unq 2 iso 0 dist 8.89556 14.8578 9.60931 6.94233 8.65645 12.3453 numMergedOcc 0
42 mol 176 unq 3 iso 0 dist 8.89556 14.8578 9.60931 3.97245 6.85902 11.2094 numMergedOcc 0
43 mol 220 unq 0 iso 0 dist 6.18239 9.31156 9.80204 3.52029 7.83056 9.54951 numMergedOcc 0
44 mol 225 unq 0 iso 0 dist 6.15671 5.97855 6.35772 8.58432 9.54529 11.0751 numMergedOcc 0
45 mol 266 unq 0 iso 0 dist 6.9943 4.80695 9.90506 4.58167 6.96692 4.39553 numMergedOcc 0
46 mol 266 unq 1 iso 0 dist 6.9943 4.47412 9.03341 4.58167 6.96692 3.94797 numMergedOcc 0
47 mol 266 unq 2 iso 0 dist 7.36685 8.13583 6.39822 7.98379 7.8598 10.1418 numMergedOcc 0
48 mol 266 unq 3 iso 0 dist 7.36685 8.13583 6.39822 4.58167 8.25286 7.63149 numMergedOcc 0
49 mol 266 unq 4 iso 0 dist 7.36685 4.80695 8.61077 7.98379 7.8598 10.3155 numMergedOcc 0
50 mol 266 unq 5 iso 0 dist 7.36685 4.80695 8.61077 4.58167 8.25286 4.39553 numMergedOcc 0
51 mol 266 unq 6 iso 0 dist 9.20906 10.2082 5.36518 10.0526 7.80711 10.1418 numMergedOcc 0
52 mol 266 unq 7 iso 0 dist 9.20906 10.2082 5.36518 16.8584 9.9965 7.63149 numMergedOcc 0
53 mol 266 unq 8 iso 0 dist 9.20906 13.6949 9.11585 10.0526 7.80711 10.3155 numMergedOcc 0
54 mol 266 unq 9 iso 0 dist 9.20906 13.6949 9.11585 16.8584 9.9965 4.39553 numMergedOcc 0
55 mol 266 unq 10 iso 0 dist 9.03099 8.13583 5.36518 7.98379 7.80711 10.1418 numMergedOcc 0
56 mol 266 unq 11 iso 0 dist 9.03099 8.13583 5.36518 4.58167 9.9965 7.63149 numMergedOcc 0
57 mol 266 unq 12 iso 0 dist 9.03099 4.80695 9.11585 7.98379 7.80711 10.3155 numMergedOcc 0
58 mol 266 unq 13 iso 0 dist 9.03099 4.80695 9.11585 4.58167 9.9965 4.39553 numMergedOcc 0
59 mol 277 unq 0 iso 0 dist 7.34927 4.00063 9.07744 9.69757 7.98956 9.21484 numMergedOcc 0
60 mol 277 unq 1 iso 0 dist 7.34927 4.00063 9.07744 10.2113 5.86185 10.3506 numMergedOcc 0
61 mol 277 unq 2 iso 0 dist 7.34927 4.00063 9.07744 8.92993 6.79748 10.4629 numMergedOcc 0
62 mol 277 unq 3 iso 0 dist 7.34927 13.5537 8.42892 9.69757 7.98956 7.73174 numMergedOcc 0
63 mol 277 unq 4 iso 0 dist 7.34927 13.5537 8.42892 10.2113 5.86185 5.42115 numMergedOcc 0
64 mol 277 unq 5 iso 0 dist 7.34927 13.5537 8.42892 8.92993 6.79748 12.6492 numMergedOcc 0
65 mol 277 unq 6 iso 0 dist 7.34927 12.5125 8.90967 9.69757 7.98956 16.883 numMergedOcc 0
66 mol 277 unq 7 iso 0 dist 7.34927 12.5125 8.90967 10.2113 5.86185 14.5363 numMergedOcc 0
67 mol 277 unq 8 iso 0 dist 7.34927 12.5125 8.90967 8.92993 6.79748 5.91105 numMergedOcc 0
68 mol 277 unq 9 iso 0 dist 7.54315 9.31316 9.07744 7.55695 7.98956 9.21484 numMergedOcc 0
69 mol 277 unq 10 iso 0 dist 7.54315 9.31316 9.07744 6.26644 5.86185 10.3506 numMergedOcc 0
70 mol 277 unq 11 iso 0 dist 7.54315 9.31316 9.07744 10.4453 6.79748 10.4629 numMergedOcc 0
71 mol 277 unq 12 iso 0 dist 7.54315 4.15308 8.42892 7.55695 7.98956 7.73174 numMergedOcc 0
72 mol 277 unq 13 iso 0 dist 7.54315 4.15308 8.42892 6.26644 5.86185 5.42115 numMergedOcc 0
73 mol 277 unq 14 iso 0 dist 7.54315 4.15308 8.42892 10.4453 6.79748 12.6492 numMergedOcc 0
74 mol 277 unq 15 iso 0 dist 7.54315 14.7276 8.90967 7.55695 7.98956 16.883 numMergedOcc 0
75 mol 277 unq 16 iso 0 dist 7.54315 14.7276 8.90967 6.26644 5.86185 14.5363 numMergedOcc 0
76 mol 277 unq 17 iso 0 dist 7.54315 14.7276 8.90967 10.4453 6.79748 5.91105 numMergedOcc 0
77 mol 277 unq 18 iso 0 dist 7.88615 5.27072 6.40861 10.6003 6.53598 5.91105 numMergedOcc 0
78 mol 281 unq 0 iso 0 dist 8.78416 13.3861 9.39268 16.2332 7.90368 12.4082 numMergedOcc 0
79 mol 281 unq 1 iso 0 dist 8.78416 13.3861 9.39268 10.564 6.69267 10.4439 numMergedOcc 0
80 mol 281 unq 2 iso 0 dist 8.78416 8.97987 9.06888 16.2332 7.90368 15.8562 numMergedOcc 0
81 mol 281 unq 3 iso 0 dist 8.78416 8.97987 9.06888 10.564 6.69267 6.28551 numMergedOcc 0
82 mol 281 unq 4 iso 0 dist 9.22428 8.97987 6.62682 9.75261 5.33372 6.24691 numMergedOcc 0
83 mol 281 unq 5 iso 0 dist 9.22428 8.97987 6.62682 10.564 6.56886 6.28551 numMergedOcc 0
84 mol 281 unq 6 iso 0 dist 7.82358 3.90611 9.39268 12.9503 7.90368 12.4082 numMergedOcc 0
85 mol 281 unq 7 iso 0 dist 7.82358 3.90611 9.39268 9.45924 6.69267 10.4439 numMergedOcc 0
86 mol 281 unq 8 iso 0 dist 7.82358 13.4167 9.06888 12.9503 7.90368 15.8562 numMergedOcc 0
87 mol 281 unq 9 iso 0 dist 7.82358 13.4167 9.06888 9.45924 6.69267 6.28551 numMergedOcc 0
88 mol 281 unq 10 iso 0 dist 7.95687 5.33399 6.62682 3.73592 5.33372 6.24691 numMergedOcc 0
89 mol 281 unq 11 iso 0 dist 7.95687 5.33399 6.62682 10.8606 6.56886 6.28551 numMergedOcc 0
