0 mol 0 unq 0 iso 0 dist 9.23213 8.81979 9.14029 7.40865 9.30151 6.11501 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 8.81979 9.23213 9.14029 7.40865 6.11501 9.30151 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 6.85412 6.33889 5.80437 9.62394 4.45625 6.0397 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 6.33889 6.85412 5.80437 9.62394 6.0397 4.45625 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 8.78293 8.23643 12.7954 7.75618 6.2337 14.4867 numMergedOcc 0
5 mol 19 unq 0 iso 1 dist 8.23643 8.78293 12.7954 7.75618 14.4867 6.2337 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 8.78293 7.82528 14.7664 7.75618 6.2337 11.4087 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 7.82528 8.78293 14.7664 7.75618 11.4087 6.2337 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 8.23643 7.82528 11.0033 7.75618 14.4867 11.4087 numMergedOcc 0
9 mol 19 unq 1 iso 1 dist 7.82528 8.23643 11.0033 7.75618 11.4087 14.4867 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 9.80862 8.43904 4.84196 6.73586 4.95807 7.39626 numMergedOcc 0
11 mol 119 unq 0 iso 1 dist 8.43904 9.80862 4.84196 6.73586 7.39626 4.95807 numMergedOcc 0
12 mol 124 unq 0 iso 0 dist 6.83051 9.28376 4.81682 6.96281 6.89396 7.66641 numMergedOcc 0
13 mol 124 unq 0 iso 1 dist 9.28376 6.83051 4.81682 6.96281 7.66641 6.89396 numMergedOcc 0
14 mol 130 unq 0 iso 0 dist 7.66168 9.12581 6.09983 7.90048 6.08911 10.0581 numMergedOcc 0
15 mol 130 unq 0 iso 1 dist 9.12581 7.66168 6.09983 7.90048 10.0581 6.08911 numMergedOcc 0
16 mol 130 unq 1 iso 0 dist 7.66168 9.12581 6.09983 9.99802 11.562 7.20197 numMergedOcc 0
17 mol 130 unq 1 iso 1 dist 9.12581 7.66168 6.09983 9.99802 7.20197 11.562 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 6.91348 9.51418 10.2027 8.70296 9.93183 16.5048 numMergedOcc 0
19 mol 131 unq 0 iso 1 dist 9.51418 6.91348 10.2027 8.70296 16.5048 9.93183 numMergedOcc 0
20 mol 131 unq 1 iso 0 dist 6.91348 9.51418 10.2027 9.25558 5.90177 5.70899 numMergedOcc 0
21 mol 131 unq 1 iso 1 dist 9.51418 6.91348 10.2027 9.25558 5.70899 5.90177 numMergedOcc 0
22 mol 155 unq 0 iso 0 dist 9.87281 8.65888 10.1369 8.69157 7.6506 4.40321 numMergedOcc 0
23 mol 155 unq 0 iso 1 dist 8.65888 9.87281 10.1369 8.69157 4.40321 7.6506 numMergedOcc 0
24 mol 155 unq 1 iso 0 dist 9.87281 8.27111 6.0706 8.69157 7.6506 6.00473 numMergedOcc 0
25 mol 155 unq 1 iso 1 dist 8.27111 9.87281 6.0706 8.69157 6.00473 7.6506 numMergedOcc 0
26 mol 155 unq 2 iso 0 dist 9.38946 7.36102 5.68272 7.92304 9.50478 5.50045 numMergedOcc 0
27 mol 155 unq 2 iso 1 dist 7.36102 9.38946 5.68272 7.92304 5.50045 9.50478 numMergedOcc 0
28 mol 155 unq 3 iso 0 dist 7.39644 7.70572 9.42764 6.53347 6.40403 4.40321 numMergedOcc 0
29 mol 155 unq 3 iso 1 dist 7.70572 7.39644 9.42764 6.53347 4.40321 6.40403 numMergedOcc 0
30 mol 155 unq 1 iso 0 dist 8.65888 8.27111 5.44147 8.69157 4.40321 6.00473 numMergedOcc 0
31 mol 155 unq 1 iso 1 dist 8.27111 8.65888 5.44147 8.69157 6.00473 4.40321 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 6.94688 6.71012 5.3528 8.90963 4.43678 6.03415 numMergedOcc 0
33 mol 181 unq 0 iso 1 dist 6.71012 6.94688 5.3528 8.90963 6.03415 4.43678 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 7.20046 7.13543 6.33699 9.72611 9.87435 14.6648 numMergedOcc 0
35 mol 181 unq 1 iso 1 dist 7.13543 7.20046 6.33699 9.72611 14.6648 9.87435 numMergedOcc 0
36 mol 181 unq 2 iso 0 dist 7.20046 7.13543 6.33699 7.99195 4.69841 7.23063 numMergedOcc 0
37 mol 181 unq 2 iso 1 dist 7.13543 7.20046 6.33699 7.99195 7.23063 4.69841 numMergedOcc 0
38 mol 181 unq 3 iso 0 dist 7.98142 7.37327 6.46849 5.94469 8.93991 5.35588 numMergedOcc 0
39 mol 181 unq 3 iso 1 dist 7.37327 7.98142 6.46849 5.94469 5.35588 8.93991 numMergedOcc 0
40 mol 194 unq 0 iso 0 dist 5.48258 6.15769 7.46053 8.29382 4.79043 6.56076 numMergedOcc 0
41 mol 194 unq 0 iso 1 dist 6.15769 5.48258 7.46053 8.29382 6.56076 4.79043 numMergedOcc 0
42 mol 194 unq 1 iso 0 dist 5.48258 6.15769 7.46053 6.72379 4.26755 10.0315 numMergedOcc 0
43 mol 194 unq 1 iso 1 dist 6.15769 5.48258 7.46053 6.72379 10.0315 4.26755 numMergedOcc 0
44 mol 195 unq 0 iso 0 dist 8.36117 6.77578 5.42587 9.26504 4.4994 5.99784 numMergedOcc 0
45 mol 195 unq 0 iso 1 dist 6.77578 8.36117 5.42587 9.26504 5.99784 4.4994 numMergedOcc 0
46 mol 197 unq 0 iso 0 dist 8.99696 7.85058 14.5931 7.50013 11.1666 5.53129 numMergedOcc 0
47 mol 197 unq 0 iso 1 dist 7.85058 8.99696 14.5931 7.50013 5.53129 11.1666 numMergedOcc 0
48 mol 197 unq 1 iso 0 dist 8.99696 7.85058 14.5931 5.81233 13.3562 4.38296 numMergedOcc 0
49 mol 197 unq 1 iso 1 dist 7.85058 8.99696 14.5931 5.81233 4.38296 13.3562 numMergedOcc 0
50 mol 197 unq 2 iso 0 dist 8.99696 7.85058 14.5931 6.92924 4.59269 11.3267 numMergedOcc 0
51 mol 197 unq 2 iso 1 dist 7.85058 8.99696 14.5931 6.92924 11.3267 4.59269 numMergedOcc 0
52 mol 197 unq 3 iso 0 dist 8.99696 7.85058 14.5931 7.14306 12.9766 8.05362 numMergedOcc 0
53 mol 197 unq 3 iso 1 dist 7.85058 8.99696 14.5931 7.14306 8.05362 12.9766 numMergedOcc 0
54 mol 197 unq 4 iso 0 dist 8.99696 9.96638 8.44549 7.50013 11.1666 6.46195 numMergedOcc 0
55 mol 197 unq 4 iso 1 dist 9.96638 8.99696 8.44549 7.50013 6.46195 11.1666 numMergedOcc 0
56 mol 197 unq 5 iso 0 dist 8.99696 9.96638 8.44549 5.81233 13.3562 11.0356 numMergedOcc 0
57 mol 197 unq 5 iso 1 dist 9.96638 8.99696 8.44549 5.81233 11.0356 13.3562 numMergedOcc 0
58 mol 197 unq 6 iso 0 dist 8.99696 9.96638 8.44549 6.92924 4.59269 6.31157 numMergedOcc 0
59 mol 197 unq 6 iso 1 dist 9.96638 8.99696 8.44549 6.92924 6.31157 4.59269 numMergedOcc 0
60 mol 197 unq 7 iso 0 dist 8.99696 9.96638 8.44549 7.14306 12.9766 11.5276 numMergedOcc 0
61 mol 197 unq 7 iso 1 dist 9.96638 8.99696 8.44549 7.14306 11.5276 12.9766 numMergedOcc 0
62 mol 197 unq 4 iso 0 dist 7.85058 9.96638 10.0338 7.50013 5.53129 6.46195 numMergedOcc 0
63 mol 197 unq 4 iso 1 dist 9.96638 7.85058 10.0338 7.50013 6.46195 5.53129 numMergedOcc 0
64 mol 197 unq 5 iso 0 dist 7.85058 9.96638 10.0338 5.81233 4.38296 11.0356 numMergedOcc 0
65 mol 197 unq 5 iso 1 dist 9.96638 7.85058 10.0338 5.81233 11.0356 4.38296 numMergedOcc 0
66 mol 197 unq 6 iso 0 dist 7.85058 9.96638 10.0338 6.92924 11.3267 6.31157 numMergedOcc 0
67 mol 197 unq 6 iso 1 dist 9.96638 7.85058 10.0338 6.92924 6.31157 11.3267 numMergedOcc 0
68 mol 197 unq 7 iso 0 dist 7.85058 9.96638 10.0338 7.14306 8.05362 11.5276 numMergedOcc 0
69 mol 197 unq 7 iso 1 dist 9.96638 7.85058 10.0338 7.14306 11.5276 8.05362 numMergedOcc 0
70 mol 213 unq 0 iso 0 dist 6.0965 9.59129 6.04429 7.37798 6.17282 12.1116 numMergedOcc 0
71 mol 213 unq 0 iso 1 dist 9.59129 6.0965 6.04429 7.37798 12.1116 6.17282 numMergedOcc 0
72 mol 213 unq 1 iso 0 dist 6.0965 9.59129 6.04429 7.73322 10.5013 9.93085 numMergedOcc 0
73 mol 213 unq 1 iso 1 dist 9.59129 6.0965 6.04429 7.73322 9.93085 10.5013 numMergedOcc 0
74 mol 218 unq 0 iso 0 dist 7.18041 7.17547 9.17818 6.1951 6.16211 7.21048 numMergedOcc 0
75 mol 218 unq 0 iso 1 dist 7.17547 7.18041 9.17818 6.1951 7.21048 6.16211 numMergedOcc 0
76 mol 238 unq 0 iso 0 dist 8.14172 8.09066 10.9258 7.02333 4.38002 11.5793 numMergedOcc 0
77 mol 238 unq 0 iso 1 dist 8.09066 8.14172 10.9258 7.02333 11.5793 4.38002 numMergedOcc 0
78 mol 238 unq 1 iso 0 dist 6.77463 7.2766 10.9258 8.67864 4.38002 11.5793 numMergedOcc 0
79 mol 238 unq 1 iso 1 dist 7.2766 6.77463 10.9258 8.67864 11.5793 4.38002 numMergedOcc 0
80 mol 239 unq 0 iso 0 dist 7.39747 8.1777 4.89061 9.01021 5.2908 5.91881 numMergedOcc 0
81 mol 239 unq 0 iso 1 dist 8.1777 7.39747 4.89061 9.01021 5.91881 5.2908 numMergedOcc 0
82 mol 240 unq 0 iso 0 dist 6.15305 8.0951 11.0721 6.68687 9.66581 7.03039 numMergedOcc 0
83 mol 240 unq 0 iso 1 dist 8.0951 6.15305 11.0721 6.68687 7.03039 9.66581 numMergedOcc 0
84 mol 264 unq 0 iso 0 dist 9.0012 9.5784 6.20393 7.16853 9.76317 13.9064 numMergedOcc 0
85 mol 264 unq 0 iso 1 dist 9.5784 9.0012 6.20393 7.16853 13.9064 9.76317 numMergedOcc 0
86 mol 287 unq 0 iso 0 dist 7.04472 6.4778 11.01 6.89451 4.481 12.237 numMergedOcc 0
87 mol 287 unq 0 iso 1 dist 6.4778 7.04472 11.01 6.89451 12.237 4.481 numMergedOcc 0
88 mol 288 unq 0 iso 0 dist 7.04472 6.4778 11.01 6.89451 4.481 12.237 numMergedOcc 0
89 mol 288 unq 0 iso 1 dist 6.4778 7.04472 11.01 6.89451 12.237 4.481 numMergedOcc 0
90 mol 289 unq 0 iso 0 dist 7.04472 6.4778 11.01 6.89451 4.481 12.237 numMergedOcc 0
91 mol 289 unq 0 iso 1 dist 6.4778 7.04472 11.01 6.89451 12.237 4.481 numMergedOcc 0
