0 mol 24 unq 0 iso 0 dist 8.62284 5.90981 9.69752 13.719 9.36461 10.2653 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 8.62284 13.719 9.36461 5.90981 9.69752 10.2653 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 6.93364 6.45654 6.15801 11.9626 9.63403 6.47508 numMergedOcc 0
3 mol 34 unq 0 iso 1 dist 6.93364 11.9626 9.63403 6.45654 6.15801 6.47508 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 6.93364 6.45654 6.15801 14.1223 8.07314 9.89387 numMergedOcc 0
5 mol 34 unq 1 iso 1 dist 6.93364 14.1223 8.07314 6.45654 6.15801 9.89387 numMergedOcc 0
6 mol 34 unq 1 iso 0 dist 6.93364 11.9626 9.63403 14.1223 8.07314 10.4405 numMergedOcc 0
7 mol 34 unq 1 iso 1 dist 6.93364 14.1223 8.07314 11.9626 9.63403 10.4405 numMergedOcc 0
8 mol 34 unq 2 iso 0 dist 6.34821 7.35043 6.15801 13.4874 9.63403 6.47508 numMergedOcc 0
9 mol 34 unq 2 iso 1 dist 6.34821 13.4874 9.63403 7.35043 6.15801 6.47508 numMergedOcc 0
10 mol 34 unq 3 iso 0 dist 6.34821 7.35043 6.15801 12.0754 8.07314 9.89387 numMergedOcc 0
11 mol 34 unq 3 iso 1 dist 6.34821 12.0754 8.07314 7.35043 6.15801 9.89387 numMergedOcc 0
12 mol 34 unq 3 iso 0 dist 6.34821 13.4874 9.63403 12.0754 8.07314 10.4405 numMergedOcc 0
13 mol 34 unq 3 iso 1 dist 6.34821 12.0754 8.07314 13.4874 9.63403 10.4405 numMergedOcc 0
14 mol 44 unq 0 iso 0 dist 9.17518 9.05795 7.03307 6.37181 7.25707 5.25016 numMergedOcc 0
15 mol 44 unq 0 iso 1 dist 9.17518 6.37181 7.25707 9.05795 7.03307 5.25016 numMergedOcc 0
16 mol 44 unq 1 iso 0 dist 8.21833 11.814 7.03307 7.77924 7.25707 5.25016 numMergedOcc 0
17 mol 44 unq 1 iso 1 dist 8.21833 7.77924 7.25707 11.814 7.03307 5.25016 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 9.20197 10.7055 8.57827 6.91947 7.94453 11.7781 numMergedOcc 0
19 mol 92 unq 0 iso 1 dist 9.20197 6.91947 7.94453 10.7055 8.57827 11.7781 numMergedOcc 0
20 mol 130 unq 0 iso 0 dist 6.82089 6.08911 9.13191 11.562 6.95405 12.2217 numMergedOcc 0
21 mol 130 unq 0 iso 1 dist 6.82089 11.562 6.95405 6.08911 9.13191 12.2217 numMergedOcc 0
22 mol 130 unq 1 iso 0 dist 5.38314 10.0581 9.13191 7.20197 6.95405 12.2217 numMergedOcc 0
23 mol 130 unq 1 iso 1 dist 5.38314 7.20197 6.95405 10.0581 9.13191 12.2217 numMergedOcc 0
24 mol 131 unq 0 iso 0 dist 9.39683 10.8622 5.44303 12.6448 8.50562 5.37172 numMergedOcc 0
25 mol 131 unq 0 iso 1 dist 9.39683 12.6448 8.50562 10.8622 5.44303 5.37172 numMergedOcc 0
26 mol 158 unq 0 iso 0 dist 6.39981 5.42969 6.76055 4.77562 9.36343 6.97949 numMergedOcc 0
27 mol 158 unq 0 iso 1 dist 6.39981 4.77562 9.36343 5.42969 6.76055 6.97949 numMergedOcc 0
28 mol 163 unq 0 iso 0 dist 8.21476 15.4471 9.79069 9.33755 9.27496 15.4815 numMergedOcc 0
29 mol 163 unq 0 iso 1 dist 8.21476 9.33755 9.27496 15.4471 9.79069 15.4815 numMergedOcc 0
30 mol 163 unq 1 iso 0 dist 7.66897 9.54216 9.79069 10.7572 9.27496 15.4815 numMergedOcc 0
31 mol 163 unq 1 iso 1 dist 7.66897 10.7572 9.27496 9.54216 9.79069 15.4815 numMergedOcc 0
32 mol 175 unq 0 iso 0 dist 7.01126 4.30489 5.89564 4.57622 5.60528 6.75531 numMergedOcc 0
33 mol 175 unq 0 iso 1 dist 7.01126 4.57622 5.60528 4.30489 5.89564 6.75531 numMergedOcc 0
34 mol 182 unq 0 iso 0 dist 8.89822 11.9845 8.2169 12.8718 8.52103 5.97071 numMergedOcc 0
35 mol 182 unq 0 iso 1 dist 8.89822 12.8718 8.52103 11.9845 8.2169 5.97071 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 7.94153 4.35079 4.5271 5.34643 7.02575 6.68665 numMergedOcc 0
37 mol 186 unq 0 iso 1 dist 7.94153 5.34643 7.02575 4.35079 4.5271 6.68665 numMergedOcc 0
38 mol 193 unq 0 iso 0 dist 8.76185 10.8409 7.8141 5.97706 8.43187 12.9373 numMergedOcc 0
39 mol 193 unq 0 iso 1 dist 8.76185 5.97706 8.43187 10.8409 7.8141 12.9373 numMergedOcc 0
40 mol 210 unq 0 iso 0 dist 6.4829 5.96222 5.57779 10.1011 7.05649 7.33239 numMergedOcc 0
41 mol 210 unq 0 iso 1 dist 6.4829 10.1011 7.05649 5.96222 5.57779 7.33239 numMergedOcc 0
42 mol 210 unq 1 iso 0 dist 6.4829 5.96222 5.57779 12.5026 6.78579 8.67862 numMergedOcc 0
43 mol 210 unq 1 iso 1 dist 6.4829 12.5026 6.78579 5.96222 5.57779 8.67862 numMergedOcc 0
44 mol 210 unq 1 iso 0 dist 6.4829 10.1011 7.05649 12.5026 6.78579 5.72053 numMergedOcc 0
45 mol 210 unq 1 iso 1 dist 6.4829 12.5026 6.78579 10.1011 7.05649 5.72053 numMergedOcc 0
46 mol 225 unq 0 iso 0 dist 7.29542 9.51752 9.23935 10.9596 7.77552 4.23863 numMergedOcc 0
47 mol 225 unq 0 iso 1 dist 7.29542 10.9596 7.77552 9.51752 9.23935 4.23863 numMergedOcc 0
48 mol 237 unq 0 iso 0 dist 7.33613 4.7134 6.07878 6.42587 7.80422 5.62416 numMergedOcc 0
49 mol 237 unq 0 iso 1 dist 7.33613 6.42587 7.80422 4.7134 6.07878 5.62416 numMergedOcc 0
50 mol 237 unq 1 iso 0 dist 7.33613 4.7134 6.07878 9.55218 5.06628 8.65228 numMergedOcc 0
51 mol 237 unq 1 iso 1 dist 7.33613 9.55218 5.06628 4.7134 6.07878 8.65228 numMergedOcc 0
52 mol 237 unq 1 iso 0 dist 7.33613 6.42587 7.80422 9.55218 5.06628 6.60537 numMergedOcc 0
53 mol 237 unq 1 iso 1 dist 7.33613 9.55218 5.06628 6.42587 7.80422 6.60537 numMergedOcc 0
54 mol 282 unq 0 iso 0 dist 9.96468 6.18986 8.53065 9.09482 8.67489 12.6015 numMergedOcc 0
55 mol 282 unq 0 iso 1 dist 9.96468 9.09482 8.67489 6.18986 8.53065 12.6015 numMergedOcc 0
56 mol 282 unq 1 iso 0 dist 9.59817 10.2999 8.53065 6.21176 8.67489 12.6015 numMergedOcc 0
57 mol 282 unq 1 iso 1 dist 9.59817 6.21176 8.67489 10.2999 8.53065 12.6015 numMergedOcc 0
58 mol 285 unq 0 iso 0 dist 5.80415 7.87216 8.16947 4.39689 6.74142 3.87957 numMergedOcc 0
59 mol 285 unq 0 iso 1 dist 5.80415 4.39689 6.74142 7.87216 8.16947 3.87957 numMergedOcc 0
