0 mol 7 unq 0 iso 0 dist 8.36111 17.4437 9.87885 5.77391 6.1206 13.2247 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.36111 5.77391 6.1206 17.4437 9.87885 13.2247 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 9.08552 5.12111 6.56356 13.7837 9.01112 10.9495 numMergedOcc 0
3 mol 8 unq 0 iso 1 dist 9.08552 13.7837 9.01112 5.12111 6.56356 10.9495 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 9.08552 5.12111 6.56356 8.69443 7.62333 8.09332 numMergedOcc 0
5 mol 8 unq 1 iso 1 dist 9.08552 8.69443 7.62333 5.12111 6.56356 8.09332 numMergedOcc 0
6 mol 8 unq 1 iso 0 dist 9.08552 13.7837 9.01112 8.69443 7.62333 6.23795 numMergedOcc 0
7 mol 8 unq 1 iso 1 dist 9.08552 8.69443 7.62333 13.7837 9.01112 6.23795 numMergedOcc 0
8 mol 16 unq 0 iso 0 dist 6.21616 5.70228 7.65889 5.61445 6.42835 10.2656 numMergedOcc 0
9 mol 16 unq 0 iso 1 dist 6.21616 5.61445 6.42835 5.70228 7.65889 10.2656 numMergedOcc 0
10 mol 16 unq 1 iso 0 dist 9.45103 5.61445 6.57331 12.5048 8.43054 6.92781 numMergedOcc 0
11 mol 16 unq 1 iso 1 dist 9.45103 12.5048 8.43054 5.61445 6.57331 6.92781 numMergedOcc 0
12 mol 25 unq 0 iso 0 dist 9.95169 4.96681 9.48085 12.2441 9.49421 10.9391 numMergedOcc 0
13 mol 25 unq 0 iso 1 dist 9.95169 12.2441 9.49421 4.96681 9.48085 10.9391 numMergedOcc 0
14 mol 72 unq 0 iso 0 dist 8.16985 10.1721 9.74228 11.6369 7.12321 5.36766 numMergedOcc 0
15 mol 72 unq 0 iso 1 dist 8.16985 11.6369 7.12321 10.1721 9.74228 5.36766 numMergedOcc 0
16 mol 72 unq 1 iso 0 dist 8.16985 10.1721 9.74228 6.12361 6.21799 7.04035 numMergedOcc 0
17 mol 72 unq 1 iso 1 dist 8.16985 6.12361 6.21799 10.1721 9.74228 7.04035 numMergedOcc 0
18 mol 72 unq 1 iso 0 dist 8.16985 11.6369 7.12321 6.12361 6.21799 8.24309 numMergedOcc 0
19 mol 72 unq 1 iso 1 dist 8.16985 6.12361 6.21799 11.6369 7.12321 8.24309 numMergedOcc 0
20 mol 72 unq 2 iso 0 dist 7.81344 6.12361 5.03251 11.4334 9.56773 5.8486 numMergedOcc 0
21 mol 72 unq 2 iso 1 dist 7.81344 11.4334 9.56773 6.12361 5.03251 5.8486 numMergedOcc 0
22 mol 72 unq 3 iso 0 dist 7.49245 5.43672 5.03251 7.58401 9.56773 5.8486 numMergedOcc 0
23 mol 72 unq 3 iso 1 dist 7.49245 7.58401 9.56773 5.43672 5.03251 5.8486 numMergedOcc 0
24 mol 76 unq 0 iso 0 dist 8.96039 5.49132 6.72869 6.71804 9.85905 10.2879 numMergedOcc 0
25 mol 76 unq 0 iso 1 dist 8.96039 6.71804 9.85905 5.49132 6.72869 10.2879 numMergedOcc 0
26 mol 98 unq 0 iso 0 dist 6.74197 12.31 9.64383 11.0642 7.54889 13.659 numMergedOcc 0
27 mol 98 unq 0 iso 1 dist 6.74197 11.0642 7.54889 12.31 9.64383 13.659 numMergedOcc 0
28 mol 98 unq 1 iso 0 dist 6.74197 12.31 9.64383 7.71768 7.78931 14.591 numMergedOcc 0
29 mol 98 unq 1 iso 1 dist 6.74197 7.71768 7.78931 12.31 9.64383 14.591 numMergedOcc 0
30 mol 98 unq 1 iso 0 dist 6.74197 11.0642 7.54889 7.71768 7.78931 5.02887 numMergedOcc 0
31 mol 98 unq 1 iso 1 dist 6.74197 7.71768 7.78931 11.0642 7.54889 5.02887 numMergedOcc 0
32 mol 109 unq 0 iso 0 dist 5.58623 5.25186 7.86666 13.5568 9.77497 17.2949 numMergedOcc 0
33 mol 109 unq 0 iso 1 dist 5.58623 13.5568 9.77497 5.25186 7.86666 17.2949 numMergedOcc 0
34 mol 134 unq 0 iso 0 dist 7.49352 10.5666 5.35237 14.3463 7.99477 6.90348 numMergedOcc 0
35 mol 134 unq 0 iso 1 dist 7.49352 14.3463 7.99477 10.5666 5.35237 6.90348 numMergedOcc 0
36 mol 142 unq 0 iso 0 dist 5.90339 8.68855 7.81207 5.50176 6.14151 5.32922 numMergedOcc 0
37 mol 142 unq 0 iso 1 dist 5.90339 5.50176 6.14151 8.68855 7.81207 5.32922 numMergedOcc 0
38 mol 186 unq 0 iso 0 dist 7.12029 6.94867 8.90571 5.77884 6.61112 7.09479 numMergedOcc 0
39 mol 186 unq 0 iso 1 dist 7.12029 5.77884 6.61112 6.94867 8.90571 7.09479 numMergedOcc 0
40 mol 207 unq 0 iso 0 dist 9.3 10.0122 9.98372 9.87241 6.0563 5.99308 numMergedOcc 0
41 mol 207 unq 0 iso 1 dist 9.3 9.87241 6.0563 10.0122 9.98372 5.99308 numMergedOcc 0
42 mol 207 unq 1 iso 0 dist 8.25861 4.4545 9.98372 5.62653 6.0563 5.99308 numMergedOcc 0
43 mol 207 unq 1 iso 1 dist 8.25861 5.62653 6.0563 4.4545 9.98372 5.99308 numMergedOcc 0
44 mol 207 unq 2 iso 0 dist 8.61191 14.6821 9.1528 14.5186 8.1244 5.99308 numMergedOcc 0
45 mol 207 unq 2 iso 1 dist 8.61191 14.5186 8.1244 14.6821 9.1528 5.99308 numMergedOcc 0
46 mol 207 unq 3 iso 0 dist 6.76443 10.0122 9.1528 9.87241 8.1244 5.99308 numMergedOcc 0
47 mol 207 unq 3 iso 1 dist 6.76443 9.87241 8.1244 10.0122 9.1528 5.99308 numMergedOcc 0
48 mol 207 unq 4 iso 0 dist 8.5067 4.4545 9.1528 5.62653 8.1244 5.99308 numMergedOcc 0
49 mol 207 unq 4 iso 1 dist 8.5067 5.62653 8.1244 4.4545 9.1528 5.99308 numMergedOcc 0
50 mol 224 unq 0 iso 0 dist 5.88041 13.1803 8.08349 10.3321 9.78218 10.3613 numMergedOcc 0
51 mol 224 unq 0 iso 1 dist 5.88041 10.3321 9.78218 13.1803 8.08349 10.3613 numMergedOcc 0
52 mol 224 unq 1 iso 0 dist 5.31916 8.98459 6.99769 9.81806 8.79428 6.77699 numMergedOcc 0
53 mol 224 unq 1 iso 1 dist 5.31916 9.81806 8.79428 8.98459 6.99769 6.77699 numMergedOcc 0
54 mol 224 unq 2 iso 0 dist 5.31916 8.98459 6.99769 5.99647 6.8692 11.328 numMergedOcc 0
55 mol 224 unq 2 iso 1 dist 5.31916 5.99647 6.8692 8.98459 6.99769 11.328 numMergedOcc 0
56 mol 224 unq 2 iso 0 dist 5.31916 9.81806 8.79428 5.99647 6.8692 8.49799 numMergedOcc 0
57 mol 224 unq 2 iso 1 dist 5.31916 5.99647 6.8692 9.81806 8.79428 8.49799 numMergedOcc 0
58 mol 235 unq 0 iso 0 dist 6.50932 14.2513 8.19317 8.38435 5.1823 7.218 numMergedOcc 0
59 mol 235 unq 0 iso 1 dist 6.50932 8.38435 5.1823 14.2513 8.19317 7.218 numMergedOcc 0
60 mol 259 unq 0 iso 0 dist 6.95658 5.20592 9.07743 6.80302 7.66153 4.69778 numMergedOcc 0
61 mol 259 unq 0 iso 1 dist 6.95658 6.80302 7.66153 5.20592 9.07743 4.69778 numMergedOcc 0
62 mol 264 unq 0 iso 0 dist 7.05095 6.46871 5.90924 9.80039 5.90058 7.07277 numMergedOcc 0
63 mol 264 unq 0 iso 1 dist 7.05095 9.80039 5.90058 6.46871 5.90924 7.07277 numMergedOcc 0
64 mol 264 unq 1 iso 0 dist 7.05095 6.46871 5.90924 6.62911 9.58916 8.96144 numMergedOcc 0
65 mol 264 unq 1 iso 1 dist 7.05095 6.62911 9.58916 6.46871 5.90924 8.96144 numMergedOcc 0
66 mol 264 unq 1 iso 0 dist 7.05095 9.80039 5.90058 6.62911 9.58916 14.3597 numMergedOcc 0
67 mol 264 unq 1 iso 1 dist 7.05095 6.62911 9.58916 9.80039 5.90058 14.3597 numMergedOcc 0
68 mol 267 unq 0 iso 0 dist 9.5358 12.758 8.8293 13.5233 7.34981 5.91646 numMergedOcc 0
69 mol 267 unq 0 iso 1 dist 9.5358 13.5233 7.34981 12.758 8.8293 5.91646 numMergedOcc 0
70 mol 280 unq 0 iso 0 dist 6.16546 8.30978 6.02353 5.80223 6.86234 5.51836 numMergedOcc 0
71 mol 280 unq 0 iso 1 dist 6.16546 5.80223 6.86234 8.30978 6.02353 5.51836 numMergedOcc 0
72 mol 284 unq 0 iso 0 dist 9.02411 6.5173 9.19921 6.535 6.41303 5.10183 numMergedOcc 0
73 mol 284 unq 0 iso 1 dist 9.02411 6.535 6.41303 6.5173 9.19921 5.10183 numMergedOcc 0
