0 mol 0 unq 0 iso 0 dist 5.83173 5.13216 6.80636 6.48924 8.31596 9.15248 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.903 5.16658 6.80636 12.6467 8.31596 9.15248 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 9.94248 16.5727 9.23213 6.48924 6.3267 10.3034 numMergedOcc 0
3 mol 15 unq 0 iso 0 dist 9.20338 11.7203 8.21493 12.2224 8.96967 5.01321 numMergedOcc 0
4 mol 15 unq 1 iso 0 dist 9.20338 11.6322 7.12903 12.2224 8.96967 5.55659 numMergedOcc 0
5 mol 32 unq 0 iso 0 dist 8.34024 14.1006 8.68559 12.8992 7.18766 7.93694 numMergedOcc 0
6 mol 32 unq 1 iso 0 dist 8.34024 14.1006 8.68559 8.39998 7.48825 6.68431 numMergedOcc 0
7 mol 45 unq 0 iso 0 dist 6.94727 5.2876 6.99408 11.5096 8.13782 7.39653 numMergedOcc 0
8 mol 45 unq 1 iso 0 dist 6.94727 5.28153 9.3403 11.5096 8.13782 10.6095 numMergedOcc 0
9 mol 48 unq 0 iso 0 dist 9.18584 9.26483 8.09058 13.7656 9.54797 4.84988 numMergedOcc 0
10 mol 127 unq 0 iso 0 dist 8.20636 6.93078 6.192 13.4385 6.3244 8.00931 numMergedOcc 0
11 mol 127 unq 1 iso 0 dist 8.20636 10.6558 7.69308 13.4385 6.3244 6.85862 numMergedOcc 0
12 mol 127 unq 2 iso 0 dist 8.20636 16.0489 8.59981 13.4385 6.3244 4.77464 numMergedOcc 0
13 mol 127 unq 3 iso 0 dist 8.20636 12.8217 7.66331 13.4385 6.3244 7.11695 numMergedOcc 0
14 mol 127 unq 4 iso 0 dist 8.03243 12.3873 6.192 7.34983 6.3244 8.00931 numMergedOcc 0
15 mol 127 unq 5 iso 0 dist 8.03243 9.8591 7.69308 7.34983 6.3244 6.85862 numMergedOcc 0
16 mol 127 unq 6 iso 0 dist 8.03243 9.75166 8.59981 7.34983 6.3244 4.77464 numMergedOcc 0
17 mol 127 unq 7 iso 0 dist 8.03243 12.9471 7.66331 7.34983 6.3244 7.11695 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 8.25207 14.4683 7.92688 11.0805 9.94276 11.8989 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 8.25207 14.4683 7.92688 5.6216 9.05357 15.0734 numMergedOcc 0
20 mol 133 unq 2 iso 0 dist 8.25207 14.4683 7.92688 11.5803 5.99299 9.58627 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 8.33489 15.8885 8.94837 14.7186 6.4218 5.9915 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 8.33489 10.3334 7.77454 14.7186 6.4218 10.7186 numMergedOcc 0
23 mol 155 unq 0 iso 0 dist 5.64806 6.68061 7.16254 5.84938 6.51096 4.9093 numMergedOcc 0
24 mol 155 unq 1 iso 0 dist 5.64806 6.68061 7.16254 9.52867 8.73171 10.7896 numMergedOcc 0
25 mol 155 unq 2 iso 0 dist 5.64806 11.0287 9.14392 5.84938 6.51096 6.3437 numMergedOcc 0
26 mol 155 unq 3 iso 0 dist 5.64806 11.0287 9.14392 9.52867 8.73171 9.99927 numMergedOcc 0
27 mol 156 unq 0 iso 0 dist 8.47477 6.39035 6.27641 5.74389 6.90155 6.29785 numMergedOcc 0
28 mol 156 unq 1 iso 0 dist 8.57453 9.27577 6.27641 4.95416 6.90155 6.29785 numMergedOcc 0
29 mol 173 unq 0 iso 0 dist 9.25763 15.2665 7.93331 5.56282 9.79554 13.3053 numMergedOcc 0
30 mol 173 unq 1 iso 0 dist 9.25763 12.006 6.98095 5.56282 9.79554 8.94065 numMergedOcc 0
31 mol 173 unq 2 iso 0 dist 9.25763 14.7376 8.31897 5.56282 9.79554 14.2537 numMergedOcc 0
32 mol 173 unq 3 iso 0 dist 9.63102 14.1226 7.93331 7.17381 9.79554 13.3053 numMergedOcc 0
33 mol 173 unq 4 iso 0 dist 9.63102 11.6705 6.98095 7.17381 9.79554 8.94065 numMergedOcc 0
34 mol 173 unq 5 iso 0 dist 9.63102 12.3698 8.31897 7.17381 9.79554 14.2537 numMergedOcc 0
35 mol 175 unq 0 iso 0 dist 6.84347 12.1089 9.31887 8.65486 4.79852 8.22779 numMergedOcc 0
36 mol 224 unq 0 iso 0 dist 8.77324 5.19217 8.19953 5.66992 4.55996 7.67202 numMergedOcc 0
37 mol 224 unq 1 iso 0 dist 6.4508 5.41021 6.67585 11.498 9.47554 7.98696 numMergedOcc 0
38 mol 224 unq 2 iso 0 dist 6.4508 4.91322 6.65984 11.498 9.47554 7.12232 numMergedOcc 0
39 mol 224 unq 3 iso 0 dist 8.60781 5.63485 6.87664 5.46434 8.89778 9.36098 numMergedOcc 0
40 mol 224 unq 4 iso 0 dist 8.60781 5.63485 6.87664 5.03449 9.47554 5.29877 numMergedOcc 0
41 mol 227 unq 0 iso 0 dist 8.11377 5.70988 9.62609 10.3655 6.152 8.8709 numMergedOcc 0
42 mol 227 unq 1 iso 0 dist 8.34104 14.9329 8.17891 9.63564 7.95168 13.3557 numMergedOcc 0
43 mol 227 unq 2 iso 0 dist 8.34104 13.2783 6.95902 9.63564 7.95168 8.8709 numMergedOcc 0
44 mol 228 unq 0 iso 0 dist 9.58356 6.29965 8.06181 10.3782 8.37287 4.81881 numMergedOcc 0
45 mol 228 unq 1 iso 0 dist 9.58356 10.5936 8.38048 10.3782 8.37287 6.5952 numMergedOcc 0
46 mol 228 unq 2 iso 0 dist 9.58356 14.6816 7.65132 10.3782 8.37287 11.1604 numMergedOcc 0
47 mol 228 unq 3 iso 0 dist 9.58356 6.01863 8.53764 10.3782 8.37287 10.1917 numMergedOcc 0
48 mol 228 unq 4 iso 0 dist 9.29522 6.30523 7.77367 10.3257 8.07174 4.75417 numMergedOcc 0
49 mol 228 unq 5 iso 0 dist 9.29522 10.5683 8.20909 10.3257 8.07174 6.53802 numMergedOcc 0
50 mol 228 unq 6 iso 0 dist 9.29522 14.9669 7.94506 10.3257 8.07174 11.0908 numMergedOcc 0
51 mol 228 unq 7 iso 0 dist 9.29522 6.21036 8.15494 10.3257 8.07174 10.0837 numMergedOcc 0
52 mol 235 unq 0 iso 0 dist 7.29546 5.19684 5.65339 10.2924 7.27958 6.43692 numMergedOcc 0
53 mol 250 unq 0 iso 0 dist 9.91556 15.9601 8.80086 14.2012 7.88284 11.0402 numMergedOcc 0
54 mol 250 unq 1 iso 0 dist 9.91556 15.9601 8.80086 17.6207 9.88279 7.26274 numMergedOcc 0
55 mol 274 unq 0 iso 0 dist 8.33004 15.5637 9.19234 5.50007 8.49866 14.168 numMergedOcc 0
56 mol 274 unq 1 iso 0 dist 5.42845 13.002 9.19234 4.05661 8.49866 14.168 numMergedOcc 0
57 mol 274 unq 2 iso 0 dist 5.62484 10.2307 9.19234 7.47324 8.49866 14.168 numMergedOcc 0
58 mol 293 unq 0 iso 0 dist 7.59622 6.85131 9.97212 7.67133 9.70656 5.82671 numMergedOcc 0
59 mol 293 unq 1 iso 0 dist 7.59622 6.85131 9.97212 6.09311 6.33356 8.15509 numMergedOcc 0
60 mol 294 unq 0 iso 0 dist 9.20616 11.0443 9.03492 5.9596 7.72845 6.46298 numMergedOcc 0
