0 mol 2 unq 0 iso 0 dist 8.3726 4.92096 6.90295 10.431 7.2721 6.81721 numMergedOcc 0
1 mol 5 unq 0 iso 0 dist 9.22067 11.9525 6.14476 6.62108 9.70883 13.9409 numMergedOcc 0
2 mol 5 unq 1 iso 0 dist 9.22067 11.9525 6.14476 12.0343 9.65565 4.97032 numMergedOcc 0
3 mol 5 unq 2 iso 0 dist 8.49537 4.66108 6.14476 14.7887 9.70883 13.9409 numMergedOcc 0
4 mol 5 unq 3 iso 0 dist 8.49537 4.66108 6.14476 8.65468 9.65565 4.97032 numMergedOcc 0
5 mol 11 unq 0 iso 0 dist 5.47299 10.0791 6.84216 7.27588 6.83186 11.0597 numMergedOcc 0
6 mol 11 unq 1 iso 0 dist 5.40468 9.68915 6.58046 7.16699 6.83186 10.7048 numMergedOcc 0
7 mol 46 unq 0 iso 0 dist 7.44805 14.8682 9.45756 6.81182 3.77542 9.26597 numMergedOcc 0
8 mol 46 unq 1 iso 0 dist 7.44805 14.8682 9.45756 16.1056 9.97314 4.60014 numMergedOcc 0
9 mol 48 unq 0 iso 0 dist 7.33788 8.8671 8.89047 7.0331 8.96151 3.63758 numMergedOcc 0
10 mol 48 unq 1 iso 0 dist 7.33788 8.8671 8.89047 3.85292 4.22002 6.88863 numMergedOcc 0
11 mol 48 unq 2 iso 0 dist 8.52681 12.9129 8.89047 10.4499 8.96151 3.63758 numMergedOcc 0
12 mol 48 unq 3 iso 0 dist 8.52681 12.9129 8.89047 6.44604 4.22002 6.88863 numMergedOcc 0
13 mol 78 unq 0 iso 0 dist 7.50229 5.73349 8.97888 7.86077 8.61143 9.6123 numMergedOcc 0
14 mol 78 unq 1 iso 0 dist 7.50229 5.73349 8.97888 7.92963 8.79979 3.46486 numMergedOcc 0
15 mol 85 unq 0 iso 0 dist 8.67342 7.96997 7.69926 4.8069 6.67137 6.35602 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 8.67342 7.96997 7.69926 18.1303 9.78707 13.5979 numMergedOcc 0
17 mol 85 unq 2 iso 0 dist 8.60062 7.96997 5.85237 11.1042 7.07839 3.88489 numMergedOcc 0
18 mol 85 unq 3 iso 0 dist 8.60062 7.96997 5.85237 10.9585 7.91193 5.78841 numMergedOcc 0
19 mol 85 unq 4 iso 0 dist 8.60062 7.96997 5.85237 7.55572 9.09711 7.33192 numMergedOcc 0
20 mol 85 unq 5 iso 0 dist 8.60062 7.96997 5.85237 4.8069 7.04244 6.35602 numMergedOcc 0
21 mol 85 unq 6 iso 0 dist 8.60062 7.96997 5.85237 18.1303 9.63449 13.5979 numMergedOcc 0
22 mol 85 unq 7 iso 0 dist 8.60062 14.6422 9.11768 11.1042 7.07839 9.22202 numMergedOcc 0
23 mol 85 unq 8 iso 0 dist 8.60062 14.6422 9.11768 7.55572 9.09711 15.5226 numMergedOcc 0
24 mol 85 unq 9 iso 0 dist 8.60062 14.6422 9.11768 4.8069 7.04244 10.5854 numMergedOcc 0
25 mol 85 unq 10 iso 0 dist 8.60062 14.6422 9.11768 18.1303 9.63449 10.0606 numMergedOcc 0
26 mol 85 unq 11 iso 0 dist 8.60062 14.6422 9.11768 10.9585 7.91193 12.2858 numMergedOcc 0
27 mol 85 unq 12 iso 0 dist 5.73739 9.51195 7.69926 10.0178 6.67137 6.35602 numMergedOcc 0
28 mol 85 unq 13 iso 0 dist 5.73739 9.51195 7.69926 12.1664 9.78707 13.5979 numMergedOcc 0
29 mol 85 unq 14 iso 0 dist 5.16225 9.51195 5.85237 10.0529 7.07839 3.88489 numMergedOcc 0
30 mol 85 unq 15 iso 0 dist 5.16225 9.51195 5.85237 9.0874 7.91193 5.78841 numMergedOcc 0
31 mol 85 unq 16 iso 0 dist 5.16225 9.51195 5.85237 8.41797 9.09711 7.33192 numMergedOcc 0
32 mol 85 unq 17 iso 0 dist 5.16225 9.51195 5.85237 10.0178 7.04244 6.35602 numMergedOcc 0
33 mol 85 unq 18 iso 0 dist 5.16225 9.51195 5.85237 12.1664 9.63449 13.5979 numMergedOcc 0
34 mol 85 unq 19 iso 0 dist 5.16225 14.228 9.11768 10.0529 7.07839 9.22202 numMergedOcc 0
35 mol 85 unq 20 iso 0 dist 5.16225 14.228 9.11768 8.41797 9.09711 15.5226 numMergedOcc 0
36 mol 85 unq 21 iso 0 dist 5.16225 14.228 9.11768 10.0178 7.04244 10.5854 numMergedOcc 0
37 mol 85 unq 22 iso 0 dist 5.16225 14.228 9.11768 12.1664 9.63449 10.0606 numMergedOcc 0
38 mol 85 unq 23 iso 0 dist 5.16225 14.228 9.11768 9.0874 7.91193 12.2858 numMergedOcc 0
39 mol 85 unq 24 iso 0 dist 8.00314 6.53819 9.01812 4.21164 4.18248 5.76272 numMergedOcc 0
40 mol 109 unq 0 iso 0 dist 9.87557 6.66379 8.11702 5.38685 9.29327 4.56372 numMergedOcc 0
41 mol 117 unq 0 iso 0 dist 8.71826 6.29657 7.78789 4.80213 9.02015 4.46691 numMergedOcc 0
42 mol 143 unq 0 iso 0 dist 6.38786 9.02772 8.99891 3.66518 4.3855 6.75249 numMergedOcc 0
43 mol 147 unq 0 iso 0 dist 6.52283 10.3316 8.39897 6.18105 3.82583 7.06219 numMergedOcc 0
44 mol 147 unq 1 iso 0 dist 6.52283 10.3316 8.39897 6.86255 5.19116 4.19634 numMergedOcc 0
45 mol 147 unq 2 iso 0 dist 6.52283 11.8169 9.03078 6.18105 3.82583 6.04074 numMergedOcc 0
46 mol 147 unq 3 iso 0 dist 6.52283 11.8169 9.03078 6.86255 5.19116 6.24579 numMergedOcc 0
47 mol 256 unq 0 iso 0 dist 9.49634 11.8163 4.80903 5.16057 5.58222 6.73995 numMergedOcc 0
48 mol 266 unq 0 iso 0 dist 5.36518 11.9164 9.29666 10.1418 7.80711 14.5358 numMergedOcc 0
49 mol 266 unq 1 iso 0 dist 5.36518 11.9164 9.29666 7.63149 9.9965 18.7228 numMergedOcc 0
50 mol 266 unq 2 iso 0 dist 9.11585 17.05 9.29666 10.3155 7.80711 14.5358 numMergedOcc 0
51 mol 266 unq 3 iso 0 dist 9.11585 17.05 9.29666 4.39553 9.9965 18.7228 numMergedOcc 0
52 mol 277 unq 0 iso 0 dist 9.07744 10.2486 9.54359 9.21484 7.98956 13.7583 numMergedOcc 0
53 mol 277 unq 1 iso 0 dist 9.07744 10.2486 9.54359 10.3506 5.86185 13.6433 numMergedOcc 0
54 mol 277 unq 2 iso 0 dist 9.07744 10.2486 9.54359 10.4629 6.79748 10.469 numMergedOcc 0
55 mol 277 unq 3 iso 0 dist 9.07744 7.94155 5.69112 9.21484 7.98956 11.8607 numMergedOcc 0
56 mol 277 unq 4 iso 0 dist 9.07744 7.94155 5.69112 10.3506 5.86185 10.9137 numMergedOcc 0
57 mol 277 unq 5 iso 0 dist 9.07744 7.94155 5.69112 10.4629 6.79748 5.09884 numMergedOcc 0
58 mol 277 unq 6 iso 0 dist 8.42892 17.6138 9.54359 7.73174 7.98956 13.7583 numMergedOcc 0
59 mol 277 unq 7 iso 0 dist 8.42892 17.6138 9.54359 5.42115 5.86185 13.6433 numMergedOcc 0
60 mol 277 unq 8 iso 0 dist 8.42892 17.6138 9.54359 12.6492 6.79748 10.469 numMergedOcc 0
61 mol 277 unq 9 iso 0 dist 8.42892 13.5116 5.69112 7.73174 7.98956 11.8607 numMergedOcc 0
62 mol 277 unq 10 iso 0 dist 8.42892 13.5116 5.69112 5.42115 5.86185 10.9137 numMergedOcc 0
63 mol 277 unq 11 iso 0 dist 8.42892 13.5116 5.69112 12.6492 6.79748 5.09884 numMergedOcc 0
64 mol 277 unq 12 iso 0 dist 8.90967 11.006 9.54359 16.883 7.98956 13.7583 numMergedOcc 0
65 mol 277 unq 13 iso 0 dist 8.90967 11.006 9.54359 14.5363 5.86185 13.6433 numMergedOcc 0
66 mol 277 unq 14 iso 0 dist 8.90967 11.006 9.54359 5.91105 6.79748 10.469 numMergedOcc 0
67 mol 277 unq 15 iso 0 dist 8.90967 7.72525 5.69112 16.883 7.98956 11.8607 numMergedOcc 0
68 mol 277 unq 16 iso 0 dist 8.90967 7.72525 5.69112 14.5363 5.86185 10.9137 numMergedOcc 0
69 mol 277 unq 17 iso 0 dist 8.90967 7.72525 5.69112 5.91105 6.79748 5.09884 numMergedOcc 0
70 mol 277 unq 18 iso 0 dist 6.40861 7.72525 7.2091 5.91105 6.53598 5.09884 numMergedOcc 0
71 mol 281 unq 0 iso 0 dist 9.39268 7.85489 5.50053 12.4082 7.90368 12.8596 numMergedOcc 0
72 mol 281 unq 1 iso 0 dist 9.39268 7.85489 5.50053 10.4439 6.69267 5.19196 numMergedOcc 0
73 mol 281 unq 2 iso 0 dist 9.06888 8.21418 5.50053 15.8562 7.90368 12.8596 numMergedOcc 0
74 mol 281 unq 3 iso 0 dist 9.06888 8.21418 5.50053 6.28551 6.69267 5.19196 numMergedOcc 0
75 mol 281 unq 4 iso 0 dist 6.62682 8.21418 7.33334 6.24691 5.33372 11.0049 numMergedOcc 0
76 mol 281 unq 5 iso 0 dist 6.62682 8.21418 7.33334 6.28551 6.56886 5.19196 numMergedOcc 0
