0 mol 54 unq 0 iso 0 dist 8.41365 5.65405 5.02241 14.4402 6.91765 9.5589 10.5929 5.06052 6.83299 5.08001 numMergedOcc 0
1 mol 54 unq 0 iso 1 dist 8.41365 5.65405 5.02241 10.5929 5.06052 6.83299 14.4402 6.91765 9.5589 5.08001 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 8.41365 5.65405 5.02241 14.4402 6.91765 9.5589 6.54183 10.1332 8.10861 16.3192 numMergedOcc 0
3 mol 54 unq 1 iso 1 dist 8.41365 5.65405 5.02241 6.54183 10.1332 8.10861 14.4402 6.91765 9.5589 16.3192 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 8.41365 5.65405 5.02241 10.5929 5.06052 6.83299 6.54183 10.1332 8.10861 14.2075 numMergedOcc 0
5 mol 54 unq 1 iso 1 dist 8.41365 5.65405 5.02241 6.54183 10.1332 8.10861 10.5929 5.06052 6.83299 14.2075 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 7.37607 10.6897 6.71911 13.4842 7.29033 6.85766 10.4837 5.33688 7.71095 10.0246 numMergedOcc 0
7 mol 59 unq 0 iso 1 dist 7.37607 10.6897 6.71911 10.4837 5.33688 7.71095 13.4842 7.29033 6.85766 10.0246 numMergedOcc 0
8 mol 75 unq 0 iso 0 dist 7.49283 9.14798 5.15851 16.1633 10.0425 7.79912 17.6145 11.8774 8.56639 5.64643 numMergedOcc 0
9 mol 75 unq 0 iso 1 dist 7.49283 9.14798 5.15851 17.6145 11.8774 8.56639 16.1633 10.0425 7.79912 5.64643 numMergedOcc 0
10 mol 75 unq 1 iso 0 dist 7.49283 9.14798 5.15851 16.1633 10.0425 7.79912 15.3522 10.0372 8.59017 10.4899 numMergedOcc 0
11 mol 75 unq 1 iso 1 dist 7.49283 9.14798 5.15851 15.3522 10.0372 8.59017 16.1633 10.0425 7.79912 10.4899 numMergedOcc 0
12 mol 75 unq 1 iso 0 dist 7.49283 9.14798 5.15851 17.6145 11.8774 8.56639 15.3522 10.0372 8.59017 7.00674 numMergedOcc 0
13 mol 75 unq 1 iso 1 dist 7.49283 9.14798 5.15851 15.3522 10.0372 8.59017 17.6145 11.8774 8.56639 7.00674 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 6.87582 7.12329 6.99777 12.5786 10.8292 6.11741 9.93482 11.7126 7.88312 7.69052 numMergedOcc 0
15 mol 115 unq 0 iso 1 dist 6.87582 7.12329 6.99777 9.93482 11.7126 7.88312 12.5786 10.8292 6.11741 7.69052 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 8.77794 5.19652 6.99777 8.97043 10.8292 6.11741 12.9647 11.7126 7.88312 7.69052 numMergedOcc 0
17 mol 115 unq 1 iso 1 dist 8.77794 5.19652 6.99777 12.9647 11.7126 7.88312 8.97043 10.8292 6.11741 7.69052 numMergedOcc 0
18 mol 156 unq 0 iso 0 dist 9.40225 5.66289 6.27641 9.19499 7.29758 7.44554 7.11647 8.67156 8.94056 5.56175 numMergedOcc 0
19 mol 156 unq 0 iso 1 dist 9.40225 5.66289 6.27641 7.11647 8.67156 8.94056 9.19499 7.29758 7.44554 5.56175 numMergedOcc 0
20 mol 156 unq 1 iso 0 dist 9.40225 5.66289 6.27641 9.19499 7.29758 7.44554 13.581 4.53931 9.83699 8.38403 numMergedOcc 0
21 mol 156 unq 1 iso 1 dist 9.40225 5.66289 6.27641 13.581 4.53931 9.83699 9.19499 7.29758 7.44554 8.38403 numMergedOcc 0
22 mol 156 unq 1 iso 0 dist 9.40225 5.66289 6.27641 7.11647 8.67156 8.94056 13.581 4.53931 9.83699 11.2719 numMergedOcc 0
23 mol 156 unq 1 iso 1 dist 9.40225 5.66289 6.27641 13.581 4.53931 9.83699 7.11647 8.67156 8.94056 11.2719 numMergedOcc 0
24 mol 156 unq 2 iso 0 dist 7.49255 5.69897 6.27641 12.0499 7.29758 7.44554 11.6098 8.67156 8.94056 5.56175 numMergedOcc 0
25 mol 156 unq 2 iso 1 dist 7.49255 5.69897 6.27641 11.6098 8.67156 8.94056 12.0499 7.29758 7.44554 5.56175 numMergedOcc 0
26 mol 156 unq 3 iso 0 dist 7.49255 5.69897 6.27641 12.0499 7.29758 7.44554 11.7321 4.53931 9.83699 8.38403 numMergedOcc 0
27 mol 156 unq 3 iso 1 dist 7.49255 5.69897 6.27641 11.7321 4.53931 9.83699 12.0499 7.29758 7.44554 8.38403 numMergedOcc 0
28 mol 156 unq 3 iso 0 dist 7.49255 5.69897 6.27641 11.6098 8.67156 8.94056 11.7321 4.53931 9.83699 11.2719 numMergedOcc 0
29 mol 156 unq 3 iso 1 dist 7.49255 5.69897 6.27641 11.7321 4.53931 9.83699 11.6098 8.67156 8.94056 11.2719 numMergedOcc 0
30 mol 156 unq 4 iso 0 dist 4.94012 4.68187 6.27641 10.0213 7.29758 7.44554 11.8093 8.67156 8.94056 5.56175 numMergedOcc 0
31 mol 156 unq 4 iso 1 dist 4.94012 4.68187 6.27641 11.8093 8.67156 8.94056 10.0213 7.29758 7.44554 5.56175 numMergedOcc 0
32 mol 156 unq 5 iso 0 dist 4.94012 4.68187 6.27641 10.0213 7.29758 7.44554 7.98018 4.53931 9.83699 8.38403 numMergedOcc 0
33 mol 156 unq 5 iso 1 dist 4.94012 4.68187 6.27641 7.98018 4.53931 9.83699 10.0213 7.29758 7.44554 8.38403 numMergedOcc 0
34 mol 156 unq 5 iso 0 dist 4.94012 4.68187 6.27641 11.8093 8.67156 8.94056 7.98018 4.53931 9.83699 11.2719 numMergedOcc 0
35 mol 156 unq 5 iso 1 dist 4.94012 4.68187 6.27641 7.98018 4.53931 9.83699 11.8093 8.67156 8.94056 11.2719 numMergedOcc 0
36 mol 175 unq 0 iso 0 dist 9.15536 10.5343 9.31887 17.5589 11.0415 9.0018 11.5905 5.0384 7.652 7.42466 numMergedOcc 0
37 mol 175 unq 0 iso 1 dist 9.15536 10.5343 9.31887 11.5905 5.0384 7.652 17.5589 11.0415 9.0018 7.42466 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 9.30874 5.114 6.94688 8.90247 6.25083 9.1374 10.3907 5.86342 5.98885 8.88798 numMergedOcc 0
39 mol 181 unq 0 iso 1 dist 9.30874 5.114 6.94688 10.3907 5.86342 5.98885 8.90247 6.25083 9.1374 8.88798 numMergedOcc 0
40 mol 181 unq 1 iso 0 dist 9.30874 5.114 6.94688 8.90247 6.25083 9.1374 13.7299 6.80228 9.15386 12.1628 numMergedOcc 0
41 mol 181 unq 1 iso 1 dist 9.30874 5.114 6.94688 13.7299 6.80228 9.15386 8.90247 6.25083 9.1374 12.1628 numMergedOcc 0
42 mol 181 unq 1 iso 0 dist 9.30874 5.114 6.94688 10.3907 5.86342 5.98885 13.7299 6.80228 9.15386 5.16002 numMergedOcc 0
43 mol 181 unq 1 iso 1 dist 9.30874 5.114 6.94688 13.7299 6.80228 9.15386 10.3907 5.86342 5.98885 5.16002 numMergedOcc 0
44 mol 181 unq 2 iso 0 dist 5.54873 5.114 6.71012 8.90247 4.77278 9.1374 10.3907 9.14057 5.98885 8.88798 numMergedOcc 0
45 mol 181 unq 2 iso 1 dist 5.54873 5.114 6.71012 10.3907 9.14057 5.98885 8.90247 4.77278 9.1374 8.88798 numMergedOcc 0
46 mol 181 unq 3 iso 0 dist 5.54873 5.114 6.71012 8.90247 4.77278 9.1374 13.7299 11.6919 9.15386 12.1628 numMergedOcc 0
47 mol 181 unq 3 iso 1 dist 5.54873 5.114 6.71012 13.7299 11.6919 9.15386 8.90247 4.77278 9.1374 12.1628 numMergedOcc 0
48 mol 181 unq 3 iso 0 dist 5.54873 5.114 6.71012 10.3907 9.14057 5.98885 13.7299 11.6919 9.15386 5.16002 numMergedOcc 0
49 mol 181 unq 3 iso 1 dist 5.54873 5.114 6.71012 13.7299 11.6919 9.15386 10.3907 9.14057 5.98885 5.16002 numMergedOcc 0
50 mol 181 unq 4 iso 0 dist 9.7281 7.07865 7.37327 9.79901 11.1462 7.81386 13.7928 13.3389 7.63312 8.85576 numMergedOcc 0
51 mol 181 unq 4 iso 1 dist 9.7281 7.07865 7.37327 13.7928 13.3389 7.63312 9.79901 11.1462 7.81386 8.85576 numMergedOcc 0
52 mol 204 unq 0 iso 0 dist 5.37579 5.43761 5.90931 9.55393 5.09262 7.10633 13.9155 12.9483 8.51516 10.8344 numMergedOcc 0
53 mol 204 unq 0 iso 1 dist 5.37579 5.43761 5.90931 13.9155 12.9483 8.51516 9.55393 5.09262 7.10633 10.8344 numMergedOcc 0
54 mol 205 unq 0 iso 0 dist 7.70781 10.6362 9.19704 12.9169 8.66809 6.03031 6.15806 6.23291 7.26832 7.38516 numMergedOcc 0
55 mol 205 unq 0 iso 1 dist 7.70781 10.6362 9.19704 6.15806 6.23291 7.26832 12.9169 8.66809 6.03031 7.38516 numMergedOcc 0
56 mol 205 unq 1 iso 0 dist 7.70781 10.6362 9.19704 12.9169 8.66809 6.03031 17.5925 13.231 7.80463 8.18714 numMergedOcc 0
57 mol 205 unq 1 iso 1 dist 7.70781 10.6362 9.19704 17.5925 13.231 7.80463 12.9169 8.66809 6.03031 8.18714 numMergedOcc 0
58 mol 205 unq 1 iso 0 dist 7.70781 10.6362 9.19704 6.15806 6.23291 7.26832 17.5925 13.231 7.80463 13.8543 numMergedOcc 0
59 mol 205 unq 1 iso 1 dist 7.70781 10.6362 9.19704 17.5925 13.231 7.80463 6.15806 6.23291 7.26832 13.8543 numMergedOcc 0
60 mol 220 unq 0 iso 0 dist 8.57161 9.20027 6.99002 17.1012 15.9568 9.23153 13.6374 11.1321 8.24498 10.5449 numMergedOcc 0
61 mol 220 unq 0 iso 1 dist 8.57161 9.20027 6.99002 13.6374 11.1321 8.24498 17.1012 15.9568 9.23153 10.5449 numMergedOcc 0
