0 mol 119 unq 0 iso 0 dist 8.8562 7.91683 12.3703 9.6121 12.8661 13.3563 numMergedOcc 0
1 mol 119 unq 0 iso 1 dist 7.91683 8.8562 12.3703 9.6121 13.3563 12.8661 numMergedOcc 0
2 mol 119 unq 1 iso 0 dist 8.8562 7.91683 12.3703 9.57341 5.37917 15.7711 numMergedOcc 0
3 mol 119 unq 1 iso 1 dist 7.91683 8.8562 12.3703 9.57341 15.7711 5.37917 numMergedOcc 0
4 mol 126 unq 0 iso 0 dist 5.94233 8.56219 6.71205 8.66815 5.50104 7.02562 numMergedOcc 0
5 mol 126 unq 0 iso 1 dist 8.56219 5.94233 6.71205 8.66815 7.02562 5.50104 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 9.13191 6.95405 12.2217 8.24966 6.39648 10.3272 numMergedOcc 0
7 mol 130 unq 0 iso 1 dist 6.95405 9.13191 12.2217 8.24966 10.3272 6.39648 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 5.44303 8.50562 5.37172 6.78801 6.11089 10.9311 numMergedOcc 0
9 mol 131 unq 0 iso 1 dist 8.50562 5.44303 5.37172 6.78801 10.9311 6.11089 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 4.46777 6.94988 6.51325 6.77921 3.98068 10.1551 numMergedOcc 0
11 mol 141 unq 0 iso 1 dist 6.94988 4.46777 6.51325 6.77921 10.1551 3.98068 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 6.76055 9.36343 6.97949 6.11331 11.3715 14.1217 numMergedOcc 0
13 mol 158 unq 0 iso 1 dist 9.36343 6.76055 6.97949 6.11331 14.1217 11.3715 numMergedOcc 0
14 mol 182 unq 0 iso 0 dist 8.2169 8.52103 5.97071 7.88014 9.19427 7.17714 numMergedOcc 0
15 mol 182 unq 0 iso 1 dist 8.52103 8.2169 5.97071 7.88014 7.17714 9.19427 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 4.5271 7.02575 6.68665 7.04815 3.87169 8.65911 numMergedOcc 0
17 mol 186 unq 0 iso 1 dist 7.02575 4.5271 6.68665 7.04815 8.65911 3.87169 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 4.5271 7.02575 6.68665 6.07389 5.65634 3.87082 numMergedOcc 0
19 mol 186 unq 1 iso 1 dist 7.02575 4.5271 6.68665 6.07389 3.87082 5.65634 numMergedOcc 0
20 mol 193 unq 0 iso 0 dist 7.8141 8.43187 12.9373 7.39445 9.96737 11.3625 numMergedOcc 0
21 mol 193 unq 0 iso 1 dist 8.43187 7.8141 12.9373 7.39445 11.3625 9.96737 numMergedOcc 0
22 mol 210 unq 0 iso 0 dist 5.57779 7.05649 7.33239 9.14831 12.2656 7.76842 numMergedOcc 0
23 mol 210 unq 0 iso 1 dist 7.05649 5.57779 7.33239 9.14831 7.76842 12.2656 numMergedOcc 0
24 mol 210 unq 1 iso 0 dist 5.57779 6.78579 8.67862 9.14831 12.2656 3.93305 numMergedOcc 0
25 mol 210 unq 1 iso 1 dist 6.78579 5.57779 8.67862 9.14831 3.93305 12.2656 numMergedOcc 0
26 mol 210 unq 1 iso 0 dist 7.05649 6.78579 5.72053 9.14831 7.76842 3.93305 numMergedOcc 0
27 mol 210 unq 1 iso 1 dist 6.78579 7.05649 5.72053 9.14831 3.93305 7.76842 numMergedOcc 0
28 mol 222 unq 0 iso 0 dist 9.08955 8.88664 6.85131 7.97027 4.67663 4.00869 numMergedOcc 0
29 mol 222 unq 0 iso 1 dist 8.88664 9.08955 6.85131 7.97027 4.00869 4.67663 numMergedOcc 0
30 mol 222 unq 1 iso 0 dist 9.08955 8.88664 6.85131 6.81955 9.32357 12.2233 numMergedOcc 0
31 mol 222 unq 1 iso 1 dist 8.88664 9.08955 6.85131 6.81955 12.2233 9.32357 numMergedOcc 0
32 mol 222 unq 2 iso 0 dist 9.08955 8.88664 6.85131 4.9876 6.37382 9.60662 numMergedOcc 0
33 mol 222 unq 2 iso 1 dist 8.88664 9.08955 6.85131 4.9876 9.60662 6.37382 numMergedOcc 0
34 mol 222 unq 3 iso 0 dist 9.08955 7.16819 6.76935 7.97027 4.67663 6.23984 numMergedOcc 0
35 mol 222 unq 3 iso 1 dist 7.16819 9.08955 6.76935 7.97027 6.23984 4.67663 numMergedOcc 0
36 mol 222 unq 4 iso 0 dist 9.08955 7.16819 6.76935 6.81955 9.32357 8.87178 numMergedOcc 0
37 mol 222 unq 4 iso 1 dist 7.16819 9.08955 6.76935 6.81955 8.87178 9.32357 numMergedOcc 0
38 mol 222 unq 5 iso 0 dist 9.08955 7.16819 6.76935 4.9876 6.37382 7.13962 numMergedOcc 0
39 mol 222 unq 5 iso 1 dist 7.16819 9.08955 6.76935 4.9876 7.13962 6.37382 numMergedOcc 0
40 mol 222 unq 3 iso 0 dist 8.88664 7.16819 4.19322 7.97027 4.00869 6.23984 numMergedOcc 0
41 mol 222 unq 3 iso 1 dist 7.16819 8.88664 4.19322 7.97027 6.23984 4.00869 numMergedOcc 0
42 mol 222 unq 4 iso 0 dist 8.88664 7.16819 4.19322 6.81955 12.2233 8.87178 numMergedOcc 0
43 mol 222 unq 4 iso 1 dist 7.16819 8.88664 4.19322 6.81955 8.87178 12.2233 numMergedOcc 0
44 mol 222 unq 5 iso 0 dist 8.88664 7.16819 4.19322 4.9876 9.60662 7.13962 numMergedOcc 0
45 mol 222 unq 5 iso 1 dist 7.16819 8.88664 4.19322 4.9876 7.13962 9.60662 numMergedOcc 0
46 mol 225 unq 0 iso 0 dist 9.23935 7.77552 4.23863 9.87668 18.9885 17.5145 numMergedOcc 0
47 mol 225 unq 0 iso 1 dist 7.77552 9.23935 4.23863 9.87668 17.5145 18.9885 numMergedOcc 0
48 mol 225 unq 1 iso 0 dist 9.23935 7.77552 4.23863 8.42121 16.1303 14.5337 numMergedOcc 0
49 mol 225 unq 1 iso 1 dist 7.77552 9.23935 4.23863 8.42121 14.5337 16.1303 numMergedOcc 0
50 mol 225 unq 2 iso 0 dist 9.23935 7.77552 4.23863 7.8744 3.94409 6.88465 numMergedOcc 0
51 mol 225 unq 2 iso 1 dist 7.77552 9.23935 4.23863 7.8744 6.88465 3.94409 numMergedOcc 0
52 mol 225 unq 3 iso 0 dist 9.23935 7.77552 4.23863 4.98402 7.96454 4.45116 numMergedOcc 0
53 mol 225 unq 3 iso 1 dist 7.77552 9.23935 4.23863 4.98402 4.45116 7.96454 numMergedOcc 0
54 mol 230 unq 0 iso 0 dist 8.34416 6.34832 5.10781 7.07833 6.1373 6.19535 numMergedOcc 0
55 mol 230 unq 0 iso 1 dist 6.34832 8.34416 5.10781 7.07833 6.19535 6.1373 numMergedOcc 0
56 mol 285 unq 0 iso 0 dist 8.16947 6.74142 3.87957 8.94601 8.85284 6.3633 numMergedOcc 0
57 mol 285 unq 0 iso 1 dist 6.74142 8.16947 3.87957 8.94601 6.3633 8.85284 numMergedOcc 0
