0 mol 119 unq 0 iso 0 dist 7.77116 7.20179 8.8562 9.89358 7.91683 12.3703 6.9194 9.6121 12.8661 13.3563 numMergedOcc 0
1 mol 119 unq 0 iso 1 dist 7.77116 9.89358 7.91683 7.20179 8.8562 12.3703 6.9194 9.6121 13.3563 12.8661 numMergedOcc 0
2 mol 119 unq 1 iso 0 dist 7.77116 7.20179 8.8562 9.89358 7.91683 12.3703 9.68677 9.57341 5.37917 15.7711 numMergedOcc 0
3 mol 119 unq 1 iso 1 dist 7.77116 9.89358 7.91683 7.20179 8.8562 12.3703 9.68677 9.57341 15.7711 5.37917 numMergedOcc 0
4 mol 126 unq 0 iso 0 dist 9.46588 6.0268 5.94233 8.01268 8.56219 6.71205 10.7549 8.66815 5.50104 7.02562 numMergedOcc 0
5 mol 126 unq 0 iso 1 dist 9.46588 8.01268 8.56219 6.0268 5.94233 6.71205 10.7549 8.66815 7.02562 5.50104 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 9.28592 8.01932 9.13191 6.75397 6.95405 12.2217 8.14075 8.24966 6.39648 10.3272 numMergedOcc 0
7 mol 130 unq 0 iso 1 dist 9.28592 6.75397 6.95405 8.01932 9.13191 12.2217 8.14075 8.24966 10.3272 6.39648 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 9.15431 6.51918 5.44303 9.60968 8.50562 5.37172 4.57579 6.78801 6.11089 10.9311 numMergedOcc 0
9 mol 131 unq 0 iso 1 dist 9.15431 9.60968 8.50562 6.51918 5.44303 5.37172 4.57579 6.78801 10.9311 6.11089 numMergedOcc 0
10 mol 131 unq 1 iso 0 dist 6.92648 7.92788 5.44303 8.23791 8.50562 5.37172 8.57203 6.78801 6.11089 10.9311 numMergedOcc 0
11 mol 131 unq 1 iso 1 dist 6.92648 8.23791 8.50562 7.92788 5.44303 5.37172 8.57203 6.78801 10.9311 6.11089 numMergedOcc 0
12 mol 131 unq 2 iso 0 dist 9.29384 13.1439 5.44303 13.7237 8.50562 5.37172 12.6005 6.78801 6.11089 10.9311 numMergedOcc 0
13 mol 131 unq 2 iso 1 dist 9.29384 13.7237 8.50562 13.1439 5.44303 5.37172 12.6005 6.78801 10.9311 6.11089 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 6.69515 10.1386 4.46777 7.42649 6.94988 6.51325 13.2918 6.77921 3.98068 10.1551 numMergedOcc 0
15 mol 141 unq 0 iso 1 dist 6.69515 7.42649 6.94988 10.1386 4.46777 6.51325 13.2918 6.77921 10.1551 3.98068 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 7.86572 10.1432 4.46777 9.43674 6.94988 6.51325 13.4066 6.77921 3.98068 10.1551 numMergedOcc 0
17 mol 141 unq 1 iso 1 dist 7.86572 9.43674 6.94988 10.1432 4.46777 6.51325 13.4066 6.77921 10.1551 3.98068 numMergedOcc 0
18 mol 158 unq 0 iso 0 dist 7.88319 6.4079 6.76055 4.25067 9.36343 6.97949 13.7172 6.11331 11.3715 14.1217 numMergedOcc 0
19 mol 158 unq 0 iso 1 dist 7.88319 4.25067 9.36343 6.4079 6.76055 6.97949 13.7172 6.11331 14.1217 11.3715 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 9.83476 10.5063 4.5271 14.4429 7.02575 6.68665 13.6744 7.04815 3.87169 8.65911 numMergedOcc 0
21 mol 186 unq 0 iso 1 dist 9.83476 14.4429 7.02575 10.5063 4.5271 6.68665 13.6744 7.04815 8.65911 3.87169 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 9.83476 10.5063 4.5271 14.4429 7.02575 6.68665 15.0914 6.07389 5.65634 3.87082 numMergedOcc 0
23 mol 186 unq 1 iso 1 dist 9.83476 14.4429 7.02575 10.5063 4.5271 6.68665 15.0914 6.07389 3.87082 5.65634 numMergedOcc 0
24 mol 210 unq 0 iso 0 dist 7.63018 5.85636 5.57779 10.0337 7.05649 7.33239 11.3763 9.14831 12.2656 7.76842 numMergedOcc 0
25 mol 210 unq 0 iso 1 dist 7.63018 10.0337 7.05649 5.85636 5.57779 7.33239 11.3763 9.14831 7.76842 12.2656 numMergedOcc 0
26 mol 210 unq 1 iso 0 dist 7.63018 5.85636 5.57779 7.67559 6.78579 8.67862 11.3763 9.14831 12.2656 3.93305 numMergedOcc 0
27 mol 210 unq 1 iso 1 dist 7.63018 7.67559 6.78579 5.85636 5.57779 8.67862 11.3763 9.14831 3.93305 12.2656 numMergedOcc 0
28 mol 210 unq 1 iso 0 dist 7.63018 10.0337 7.05649 7.67559 6.78579 5.72053 11.3763 9.14831 7.76842 3.93305 numMergedOcc 0
29 mol 210 unq 1 iso 1 dist 7.63018 7.67559 6.78579 10.0337 7.05649 5.72053 11.3763 9.14831 3.93305 7.76842 numMergedOcc 0
30 mol 222 unq 0 iso 0 dist 9.2581 5.89689 9.08955 8.92719 8.88664 6.85131 9.01393 7.97027 4.67663 4.00869 numMergedOcc 0
31 mol 222 unq 0 iso 1 dist 9.2581 8.92719 8.88664 5.89689 9.08955 6.85131 9.01393 7.97027 4.00869 4.67663 numMergedOcc 0
32 mol 222 unq 1 iso 0 dist 9.2581 5.89689 9.08955 8.92719 8.88664 6.85131 6.25425 6.81955 9.32357 12.2233 numMergedOcc 0
33 mol 222 unq 1 iso 1 dist 9.2581 8.92719 8.88664 5.89689 9.08955 6.85131 6.25425 6.81955 12.2233 9.32357 numMergedOcc 0
34 mol 222 unq 2 iso 0 dist 9.2581 5.89689 9.08955 8.92719 8.88664 6.85131 5.64455 4.9876 6.37382 9.60662 numMergedOcc 0
35 mol 222 unq 2 iso 1 dist 9.2581 8.92719 8.88664 5.89689 9.08955 6.85131 5.64455 4.9876 9.60662 6.37382 numMergedOcc 0
36 mol 222 unq 3 iso 0 dist 9.2581 5.89689 9.08955 5.82526 7.16819 6.76935 9.01393 7.97027 4.67663 6.23984 numMergedOcc 0
37 mol 222 unq 3 iso 1 dist 9.2581 5.82526 7.16819 5.89689 9.08955 6.76935 9.01393 7.97027 6.23984 4.67663 numMergedOcc 0
38 mol 222 unq 4 iso 0 dist 9.2581 5.89689 9.08955 5.82526 7.16819 6.76935 6.25425 6.81955 9.32357 8.87178 numMergedOcc 0
39 mol 222 unq 4 iso 1 dist 9.2581 5.82526 7.16819 5.89689 9.08955 6.76935 6.25425 6.81955 8.87178 9.32357 numMergedOcc 0
40 mol 222 unq 5 iso 0 dist 9.2581 5.89689 9.08955 5.82526 7.16819 6.76935 5.64455 4.9876 6.37382 7.13962 numMergedOcc 0
41 mol 222 unq 5 iso 1 dist 9.2581 5.82526 7.16819 5.89689 9.08955 6.76935 5.64455 4.9876 7.13962 6.37382 numMergedOcc 0
42 mol 222 unq 3 iso 0 dist 9.2581 8.92719 8.88664 5.82526 7.16819 4.19322 9.01393 7.97027 4.00869 6.23984 numMergedOcc 0
43 mol 222 unq 3 iso 1 dist 9.2581 5.82526 7.16819 8.92719 8.88664 4.19322 9.01393 7.97027 6.23984 4.00869 numMergedOcc 0
44 mol 222 unq 4 iso 0 dist 9.2581 8.92719 8.88664 5.82526 7.16819 4.19322 6.25425 6.81955 12.2233 8.87178 numMergedOcc 0
45 mol 222 unq 4 iso 1 dist 9.2581 5.82526 7.16819 8.92719 8.88664 4.19322 6.25425 6.81955 8.87178 12.2233 numMergedOcc 0
46 mol 222 unq 5 iso 0 dist 9.2581 8.92719 8.88664 5.82526 7.16819 4.19322 5.64455 4.9876 9.60662 7.13962 numMergedOcc 0
47 mol 222 unq 5 iso 1 dist 9.2581 5.82526 7.16819 8.92719 8.88664 4.19322 5.64455 4.9876 7.13962 9.60662 numMergedOcc 0
48 mol 222 unq 6 iso 0 dist 9.62632 10.6944 9.08955 15.4372 8.88664 6.85131 13.3586 7.97027 4.67663 4.00869 numMergedOcc 0
49 mol 222 unq 6 iso 1 dist 9.62632 15.4372 8.88664 10.6944 9.08955 6.85131 13.3586 7.97027 4.00869 4.67663 numMergedOcc 0
50 mol 222 unq 7 iso 0 dist 9.62632 10.6944 9.08955 15.4372 8.88664 6.85131 5.16212 6.81955 9.32357 12.2233 numMergedOcc 0
51 mol 222 unq 7 iso 1 dist 9.62632 15.4372 8.88664 10.6944 9.08955 6.85131 5.16212 6.81955 12.2233 9.32357 numMergedOcc 0
52 mol 222 unq 8 iso 0 dist 9.62632 10.6944 9.08955 15.4372 8.88664 6.85131 5.9478 4.9876 6.37382 9.60662 numMergedOcc 0
53 mol 222 unq 8 iso 1 dist 9.62632 15.4372 8.88664 10.6944 9.08955 6.85131 5.9478 4.9876 9.60662 6.37382 numMergedOcc 0
54 mol 222 unq 9 iso 0 dist 9.62632 10.6944 9.08955 12.9388 7.16819 6.76935 13.3586 7.97027 4.67663 6.23984 numMergedOcc 0
55 mol 222 unq 9 iso 1 dist 9.62632 12.9388 7.16819 10.6944 9.08955 6.76935 13.3586 7.97027 6.23984 4.67663 numMergedOcc 0
56 mol 222 unq 10 iso 0 dist 9.62632 10.6944 9.08955 12.9388 7.16819 6.76935 5.16212 6.81955 9.32357 8.87178 numMergedOcc 0
57 mol 222 unq 10 iso 1 dist 9.62632 12.9388 7.16819 10.6944 9.08955 6.76935 5.16212 6.81955 8.87178 9.32357 numMergedOcc 0
58 mol 222 unq 11 iso 0 dist 9.62632 10.6944 9.08955 12.9388 7.16819 6.76935 5.9478 4.9876 6.37382 7.13962 numMergedOcc 0
59 mol 222 unq 11 iso 1 dist 9.62632 12.9388 7.16819 10.6944 9.08955 6.76935 5.9478 4.9876 7.13962 6.37382 numMergedOcc 0
60 mol 222 unq 9 iso 0 dist 9.62632 15.4372 8.88664 12.9388 7.16819 4.19322 13.3586 7.97027 4.00869 6.23984 numMergedOcc 0
61 mol 222 unq 9 iso 1 dist 9.62632 12.9388 7.16819 15.4372 8.88664 4.19322 13.3586 7.97027 6.23984 4.00869 numMergedOcc 0
62 mol 222 unq 10 iso 0 dist 9.62632 15.4372 8.88664 12.9388 7.16819 4.19322 5.16212 6.81955 12.2233 8.87178 numMergedOcc 0
63 mol 222 unq 10 iso 1 dist 9.62632 12.9388 7.16819 15.4372 8.88664 4.19322 5.16212 6.81955 8.87178 12.2233 numMergedOcc 0
64 mol 222 unq 11 iso 0 dist 9.62632 15.4372 8.88664 12.9388 7.16819 4.19322 5.9478 4.9876 9.60662 7.13962 numMergedOcc 0
65 mol 222 unq 11 iso 1 dist 9.62632 12.9388 7.16819 15.4372 8.88664 4.19322 5.9478 4.9876 7.13962 9.60662 numMergedOcc 0
66 mol 222 unq 12 iso 0 dist 7.862 7.75466 9.08955 12.1951 8.88664 6.85131 8.84507 7.97027 4.67663 4.00869 numMergedOcc 0
67 mol 222 unq 12 iso 1 dist 7.862 12.1951 8.88664 7.75466 9.08955 6.85131 8.84507 7.97027 4.00869 4.67663 numMergedOcc 0
68 mol 222 unq 13 iso 0 dist 7.862 7.75466 9.08955 12.1951 8.88664 6.85131 8.67203 6.81955 9.32357 12.2233 numMergedOcc 0
69 mol 222 unq 13 iso 1 dist 7.862 12.1951 8.88664 7.75466 9.08955 6.85131 8.67203 6.81955 12.2233 9.32357 numMergedOcc 0
70 mol 222 unq 14 iso 0 dist 7.862 7.75466 9.08955 12.1951 8.88664 6.85131 6.02502 4.9876 6.37382 9.60662 numMergedOcc 0
71 mol 222 unq 14 iso 1 dist 7.862 12.1951 8.88664 7.75466 9.08955 6.85131 6.02502 4.9876 9.60662 6.37382 numMergedOcc 0
72 mol 222 unq 15 iso 0 dist 7.862 7.75466 9.08955 11.6161 7.16819 6.76935 8.84507 7.97027 4.67663 6.23984 numMergedOcc 0
73 mol 222 unq 15 iso 1 dist 7.862 11.6161 7.16819 7.75466 9.08955 6.76935 8.84507 7.97027 6.23984 4.67663 numMergedOcc 0
74 mol 222 unq 16 iso 0 dist 7.862 7.75466 9.08955 11.6161 7.16819 6.76935 8.67203 6.81955 9.32357 8.87178 numMergedOcc 0
75 mol 222 unq 16 iso 1 dist 7.862 11.6161 7.16819 7.75466 9.08955 6.76935 8.67203 6.81955 8.87178 9.32357 numMergedOcc 0
76 mol 222 unq 17 iso 0 dist 7.862 7.75466 9.08955 11.6161 7.16819 6.76935 6.02502 4.9876 6.37382 7.13962 numMergedOcc 0
77 mol 222 unq 17 iso 1 dist 7.862 11.6161 7.16819 7.75466 9.08955 6.76935 6.02502 4.9876 7.13962 6.37382 numMergedOcc 0
78 mol 222 unq 15 iso 0 dist 7.862 12.1951 8.88664 11.6161 7.16819 4.19322 8.84507 7.97027 4.00869 6.23984 numMergedOcc 0
79 mol 222 unq 15 iso 1 dist 7.862 11.6161 7.16819 12.1951 8.88664 4.19322 8.84507 7.97027 6.23984 4.00869 numMergedOcc 0
80 mol 222 unq 16 iso 0 dist 7.862 12.1951 8.88664 11.6161 7.16819 4.19322 8.67203 6.81955 12.2233 8.87178 numMergedOcc 0
81 mol 222 unq 16 iso 1 dist 7.862 11.6161 7.16819 12.1951 8.88664 4.19322 8.67203 6.81955 8.87178 12.2233 numMergedOcc 0
82 mol 222 unq 17 iso 0 dist 7.862 12.1951 8.88664 11.6161 7.16819 4.19322 6.02502 4.9876 9.60662 7.13962 numMergedOcc 0
83 mol 222 unq 17 iso 1 dist 7.862 11.6161 7.16819 12.1951 8.88664 4.19322 6.02502 4.9876 7.13962 9.60662 numMergedOcc 0
84 mol 225 unq 0 iso 0 dist 8.87609 5.76292 9.23935 8.21235 7.77552 4.23863 17.3148 9.87668 18.9885 17.5145 numMergedOcc 0
85 mol 225 unq 0 iso 1 dist 8.87609 8.21235 7.77552 5.76292 9.23935 4.23863 17.3148 9.87668 17.5145 18.9885 numMergedOcc 0
86 mol 225 unq 1 iso 0 dist 8.87609 5.76292 9.23935 8.21235 7.77552 4.23863 13.3773 8.42121 16.1303 14.5337 numMergedOcc 0
87 mol 225 unq 1 iso 1 dist 8.87609 8.21235 7.77552 5.76292 9.23935 4.23863 13.3773 8.42121 14.5337 16.1303 numMergedOcc 0
88 mol 225 unq 2 iso 0 dist 8.87609 5.76292 9.23935 8.21235 7.77552 4.23863 3.97158 7.8744 3.94409 6.88465 numMergedOcc 0
89 mol 225 unq 2 iso 1 dist 8.87609 8.21235 7.77552 5.76292 9.23935 4.23863 3.97158 7.8744 6.88465 3.94409 numMergedOcc 0
90 mol 225 unq 3 iso 0 dist 8.87609 5.76292 9.23935 8.21235 7.77552 4.23863 9.9875 4.98402 7.96454 4.45116 numMergedOcc 0
91 mol 225 unq 3 iso 1 dist 8.87609 8.21235 7.77552 5.76292 9.23935 4.23863 9.9875 4.98402 4.45116 7.96454 numMergedOcc 0
92 mol 230 unq 0 iso 0 dist 6.41286 6.33877 8.34416 5.0515 6.34832 5.10781 9.70574 7.07833 6.1373 6.19535 numMergedOcc 0
93 mol 230 unq 0 iso 1 dist 6.41286 5.0515 6.34832 6.33877 8.34416 5.10781 9.70574 7.07833 6.19535 6.1373 numMergedOcc 0
