0 mol 16 unq 0 iso 0 dist 7.63133 5.46498 5.32694 5.94084 5.47769 6.58035 6.73355 13.0191 8.41862 10.9633 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 5.46498 7.63133 5.32694 6.73355 8.41862 13.0191 5.94084 6.58035 5.47769 10.9633 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 7.63133 8.71745 10.4155 5.94084 5.47769 12.1189 6.73355 13.0191 8.16785 10.9633 numMergedOcc 0
3 mol 16 unq 1 iso 1 dist 8.71745 7.63133 10.4155 6.73355 8.16785 13.0191 5.94084 12.1189 5.47769 10.9633 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 5.46498 8.71745 5.74188 5.94084 6.58035 12.1189 6.73355 8.41862 8.16785 10.9633 numMergedOcc 0
5 mol 16 unq 1 iso 1 dist 8.71745 5.46498 5.74188 6.73355 8.16785 8.41862 5.94084 12.1189 6.58035 10.9633 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 8.4674 4.54938 7.67038 5.14627 6.20943 7.82528 10.9543 13.4721 8.78293 14.7664 numMergedOcc 0
7 mol 19 unq 0 iso 1 dist 4.54938 8.4674 7.67038 10.9543 8.78293 13.4721 5.14627 7.82528 6.20943 14.7664 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 8.4674 4.54938 7.67038 5.14627 6.20943 7.82528 6.55187 14.6255 8.23643 11.0033 numMergedOcc 0
9 mol 19 unq 1 iso 1 dist 4.54938 8.4674 7.67038 6.55187 8.23643 14.6255 5.14627 7.82528 6.20943 11.0033 numMergedOcc 0
10 mol 19 unq 2 iso 0 dist 8.4674 7.82074 10.3915 5.14627 6.20943 10.2708 6.55187 14.6255 8.73972 11.0033 numMergedOcc 0
11 mol 19 unq 2 iso 1 dist 7.82074 8.4674 10.3915 6.55187 8.73972 14.6255 5.14627 10.2708 6.20943 11.0033 numMergedOcc 0
12 mol 19 unq 2 iso 0 dist 4.54938 7.82074 5.03957 10.9543 8.78293 12.6444 6.55187 8.23643 8.73972 12.7954 numMergedOcc 0
13 mol 19 unq 2 iso 1 dist 7.82074 4.54938 5.03957 6.55187 8.73972 8.23643 10.9543 12.6444 8.78293 12.7954 numMergedOcc 0
14 mol 19 unq 3 iso 0 dist 4.54938 7.82074 5.03957 5.14627 7.82528 10.2708 6.55187 8.23643 8.73972 11.0033 numMergedOcc 0
15 mol 19 unq 3 iso 1 dist 7.82074 4.54938 5.03957 6.55187 8.73972 8.23643 5.14627 10.2708 7.82528 11.0033 numMergedOcc 0
16 mol 19 unq 4 iso 0 dist 4.51865 6.864 7.67038 4.69858 6.20943 7.82528 11.4401 13.4721 8.78293 14.7664 numMergedOcc 0
17 mol 19 unq 4 iso 1 dist 6.864 4.51865 7.67038 11.4401 8.78293 13.4721 4.69858 7.82528 6.20943 14.7664 numMergedOcc 0
18 mol 19 unq 5 iso 0 dist 4.51865 6.864 7.67038 4.69858 6.20943 7.82528 12.3093 14.6255 8.23643 11.0033 numMergedOcc 0
19 mol 19 unq 5 iso 1 dist 6.864 4.51865 7.67038 12.3093 8.23643 14.6255 4.69858 7.82528 6.20943 11.0033 numMergedOcc 0
20 mol 58 unq 0 iso 0 dist 7.32874 9.55426 5.90225 6.75888 6.40841 6.31428 13.1021 10.9482 9.73139 6.44201 numMergedOcc 0
21 mol 58 unq 0 iso 1 dist 9.55426 7.32874 5.90225 13.1021 9.73139 10.9482 6.75888 6.31428 6.40841 6.44201 numMergedOcc 0
22 mol 58 unq 1 iso 0 dist 6.86465 6.62496 5.30792 6.47744 8.63333 11.5023 4.67832 11.4118 9.64665 9.45755 numMergedOcc 0
23 mol 58 unq 1 iso 1 dist 6.62496 6.86465 5.30792 4.67832 9.64665 11.4118 6.47744 11.5023 8.63333 9.45755 numMergedOcc 0
24 mol 58 unq 2 iso 0 dist 6.62496 6.35756 4.81926 4.67832 9.64665 9.66798 6.47744 11.5023 8.89374 9.45755 numMergedOcc 0
25 mol 58 unq 2 iso 1 dist 6.35756 6.62496 4.81926 6.47744 8.89374 11.5023 4.67832 9.66798 9.64665 9.45755 numMergedOcc 0
26 mol 58 unq 3 iso 0 dist 6.64012 9.4099 6.47414 5.24906 6.46761 9.73139 5.11205 7.58407 6.31428 6.44201 numMergedOcc 0
27 mol 58 unq 3 iso 1 dist 9.4099 6.64012 6.47414 5.11205 6.31428 7.58407 5.24906 9.73139 6.46761 6.44201 numMergedOcc 0
28 mol 58 unq 4 iso 0 dist 6.64012 9.4099 6.47414 5.11205 7.58407 6.31428 5.24906 6.46761 9.73139 6.44201 numMergedOcc 0
29 mol 58 unq 4 iso 1 dist 9.4099 6.64012 6.47414 5.24906 9.73139 6.46761 5.11205 6.31428 7.58407 6.44201 numMergedOcc 0
30 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 7.11552 6.77912 11.9814 11.6894 12.0903 9.02278 15.2764 numMergedOcc 0
31 mol 72 unq 0 iso 1 dist 9.78528 9.96708 8.24309 11.6894 9.02278 12.0903 7.11552 11.9814 6.77912 15.2764 numMergedOcc 0
32 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 10.7942 7.76729 12.9821 10.8292 13.9977 6.99777 19.687 numMergedOcc 0
33 mol 115 unq 0 iso 1 dist 6.11741 9.33865 8.02349 10.8292 6.99777 13.9977 10.7942 12.9821 7.76729 19.687 numMergedOcc 0
34 mol 115 unq 1 iso 0 dist 9.33865 6.11741 8.02349 10.7942 7.76729 12.9821 6.12943 9.65429 9.14376 12.4207 numMergedOcc 0
35 mol 115 unq 1 iso 1 dist 6.11741 9.33865 8.02349 6.12943 9.14376 9.65429 10.7942 12.9821 7.76729 12.4207 numMergedOcc 0
36 mol 115 unq 2 iso 0 dist 9.33865 5.83991 7.69052 10.2377 7.64585 12.2309 6.09023 9.66954 8.66155 12.0796 numMergedOcc 0
37 mol 115 unq 2 iso 1 dist 5.83991 9.33865 7.69052 6.09023 8.66155 9.66954 10.2377 12.2309 7.64585 12.0796 numMergedOcc 0
38 mol 115 unq 3 iso 0 dist 5.83991 7.88312 8.02349 10.9739 7.76729 12.9821 11.7126 13.9977 6.99777 19.687 numMergedOcc 0
39 mol 115 unq 3 iso 1 dist 7.88312 5.83991 8.02349 11.7126 6.99777 13.9977 10.9739 12.9821 7.76729 19.687 numMergedOcc 0
40 mol 115 unq 4 iso 0 dist 5.83991 7.88312 8.02349 10.9739 7.76729 12.9821 4.62962 9.65429 9.14376 12.4207 numMergedOcc 0
41 mol 115 unq 4 iso 1 dist 7.88312 5.83991 8.02349 4.62962 9.14376 9.65429 10.9739 12.9821 7.76729 12.4207 numMergedOcc 0
42 mol 115 unq 2 iso 0 dist 6.11741 7.88312 7.69052 10.8939 7.64585 12.2309 4.61908 9.66954 8.66155 12.0796 numMergedOcc 0
43 mol 115 unq 2 iso 1 dist 7.88312 6.11741 7.69052 4.61908 8.66155 9.66954 10.8939 12.2309 7.64585 12.0796 numMergedOcc 0
44 mol 131 unq 0 iso 0 dist 7.12972 6.85062 6.63273 6.19596 8.6243 6.91348 6.6499 12.9472 9.51418 10.2027 numMergedOcc 0
45 mol 131 unq 0 iso 1 dist 6.85062 7.12972 6.63273 6.6499 9.51418 12.9472 6.19596 6.91348 8.6243 10.2027 numMergedOcc 0
46 mol 155 unq 0 iso 0 dist 6.23493 7.46303 5.71071 6.3845 7.16254 9.14392 5.86939 9.86313 7.51198 7.63368 numMergedOcc 0
47 mol 155 unq 0 iso 1 dist 7.46303 6.23493 5.71071 5.86939 7.51198 9.86313 6.3845 9.14392 7.16254 7.63368 numMergedOcc 0
48 mol 155 unq 1 iso 0 dist 6.23493 7.46303 5.71071 5.86939 9.86313 7.51198 6.3845 7.16254 9.14392 7.63368 numMergedOcc 0
49 mol 155 unq 1 iso 1 dist 7.46303 6.23493 5.71071 6.3845 9.14392 7.16254 5.86939 7.51198 9.86313 7.63368 numMergedOcc 0
50 mol 155 unq 1 iso 0 dist 7.46303 6.43582 7.66392 6.3437 9.17284 12.2465 12.8482 15.9495 9.38946 18.0659 numMergedOcc 0
51 mol 155 unq 1 iso 1 dist 6.43582 7.46303 7.66392 12.8482 9.38946 15.9495 6.3437 12.2465 9.17284 18.0659 numMergedOcc 0
52 mol 155 unq 2 iso 0 dist 7.46303 6.43582 7.66392 6.3437 9.17284 12.2465 8.27726 12.1081 7.36102 12.644 numMergedOcc 0
53 mol 155 unq 2 iso 1 dist 6.43582 7.46303 7.66392 8.27726 7.36102 12.1081 6.3437 12.2465 9.17284 12.644 numMergedOcc 0
54 mol 175 unq 0 iso 0 dist 9.0018 5.6234 6.2715 11.0415 9.31887 12.816 5.28109 10.689 9.0664 12.0428 numMergedOcc 0
55 mol 175 unq 0 iso 1 dist 5.6234 9.0018 6.2715 5.28109 9.0664 10.689 11.0415 12.816 9.31887 12.0428 numMergedOcc 0
56 mol 175 unq 1 iso 0 dist 7.652 9.92231 6.2715 5.0384 9.31887 12.816 7.14477 10.689 9.0664 12.0428 numMergedOcc 0
57 mol 175 unq 1 iso 1 dist 9.92231 7.652 6.2715 7.14477 9.0664 10.689 5.0384 12.816 9.31887 12.0428 numMergedOcc 0
58 mol 181 unq 0 iso 0 dist 5.98885 9.15386 5.16002 5.4601 7.20046 11.968 8.25067 10.8351 9.6668 13.6811 numMergedOcc 0
59 mol 181 unq 0 iso 1 dist 9.15386 5.98885 5.16002 8.25067 9.6668 10.8351 5.4601 11.968 7.20046 13.6811 numMergedOcc 0
60 mol 181 unq 1 iso 0 dist 5.98885 9.15386 5.16002 10.0524 7.13543 11.8099 8.25067 10.8351 9.6668 17.3245 numMergedOcc 0
61 mol 181 unq 1 iso 1 dist 9.15386 5.98885 5.16002 8.25067 9.6668 10.8351 10.0524 11.8099 7.13543 17.3245 numMergedOcc 0
62 mol 181 unq 2 iso 0 dist 7.81386 7.63312 8.85576 6.7991 4.93785 10.1232 4.80231 11.4148 6.93764 9.99424 numMergedOcc 0
63 mol 181 unq 2 iso 1 dist 7.63312 7.81386 8.85576 4.80231 6.93764 11.4148 6.7991 10.1232 4.93785 9.99424 numMergedOcc 0
64 mol 224 unq 0 iso 0 dist 8.95269 6.57273 4.70378 9.36098 7.06793 10.0414 5.29877 6.67585 6.65984 6.88258 numMergedOcc 0
65 mol 224 unq 0 iso 1 dist 6.57273 8.95269 4.70378 5.29877 6.65984 6.67585 9.36098 10.0414 7.06793 6.88258 numMergedOcc 0
66 mol 227 unq 0 iso 0 dist 7.22101 8.65997 5.22356 6.43754 8.17891 6.95902 14.6185 13.4493 9.62609 8.55671 numMergedOcc 0
67 mol 227 unq 0 iso 1 dist 8.65997 7.22101 5.22356 14.6185 9.62609 13.4493 6.43754 6.95902 8.17891 8.55671 numMergedOcc 0
68 mol 227 unq 1 iso 0 dist 7.22101 7.55216 12.4689 6.43754 8.17891 12.8864 11.662 15.9414 8.83563 18.0561 numMergedOcc 0
69 mol 227 unq 1 iso 1 dist 7.55216 7.22101 12.4689 11.662 8.83563 15.9414 6.43754 12.8864 8.17891 18.0561 numMergedOcc 0
70 mol 227 unq 1 iso 0 dist 8.65997 7.55216 12.9332 14.6185 9.62609 19.8174 11.662 18.8667 8.83563 26.2227 numMergedOcc 0
71 mol 227 unq 1 iso 1 dist 7.55216 8.65997 12.9332 11.662 8.83563 18.8667 14.6185 19.8174 9.62609 26.2227 numMergedOcc 0
72 mol 227 unq 2 iso 0 dist 8.65997 7.55216 12.9332 6.43754 6.95902 12.8864 11.662 18.8667 8.83563 18.0561 numMergedOcc 0
73 mol 227 unq 2 iso 1 dist 7.55216 8.65997 12.9332 11.662 8.83563 18.8667 6.43754 12.8864 6.95902 18.0561 numMergedOcc 0
74 mol 234 unq 0 iso 0 dist 6.56247 9.45496 5.88703 11.216 6.25105 7.85175 15.9563 10.3388 9.5707 5.32617 numMergedOcc 0
75 mol 234 unq 0 iso 1 dist 9.45496 6.56247 5.88703 15.9563 9.5707 10.3388 11.216 7.85175 6.25105 5.32617 numMergedOcc 0
76 mol 234 unq 1 iso 0 dist 9.36357 6.7625 5.88703 11.4315 6.25105 7.85175 14.4106 10.3388 9.5707 5.32617 numMergedOcc 0
77 mol 234 unq 1 iso 1 dist 6.7625 9.36357 5.88703 14.4106 9.5707 10.3388 11.4315 7.85175 6.25105 5.32617 numMergedOcc 0
78 mol 236 unq 0 iso 0 dist 8.03456 9.81562 7.28249 9.07822 6.68463 10.5713 11.8759 7.17676 5.34718 7.88539 numMergedOcc 0
79 mol 236 unq 0 iso 1 dist 9.81562 8.03456 7.28249 11.8759 5.34718 7.17676 9.07822 10.5713 6.68463 7.88539 numMergedOcc 0
80 mol 236 unq 1 iso 0 dist 6.84306 7.68742 7.28249 11.6837 6.68463 10.5713 11.3552 7.17676 5.34718 7.88539 numMergedOcc 0
81 mol 236 unq 1 iso 1 dist 7.68742 6.84306 7.28249 11.3552 5.34718 7.17676 11.6837 10.5713 6.68463 7.88539 numMergedOcc 0
82 mol 236 unq 2 iso 0 dist 9.99038 6.27581 7.28249 8.8265 6.68463 10.5713 6.04825 7.17676 5.34718 7.88539 numMergedOcc 0
83 mol 236 unq 2 iso 1 dist 6.27581 9.99038 7.28249 6.04825 5.34718 7.17676 8.8265 10.5713 6.68463 7.88539 numMergedOcc 0
84 mol 238 unq 0 iso 0 dist 6.22714 7.31233 5.34096 5.17471 7.49471 7.19008 10.4664 10.5202 6.55759 12.1411 numMergedOcc 0
85 mol 238 unq 0 iso 1 dist 7.31233 6.22714 5.34096 10.4664 6.55759 10.5202 5.17471 7.19008 7.49471 12.1411 numMergedOcc 0
86 mol 238 unq 1 iso 0 dist 6.22714 7.31233 5.34096 5.17471 7.49471 7.19008 11.2717 12.1784 7.02475 10.1756 numMergedOcc 0
87 mol 238 unq 1 iso 1 dist 7.31233 6.22714 5.34096 11.2717 7.02475 12.1784 5.17471 7.19008 7.49471 10.1756 numMergedOcc 0
88 mol 238 unq 2 iso 0 dist 6.22714 7.31233 5.34096 5.17471 7.49471 7.19008 12.6986 12.1937 7.67322 9.50847 numMergedOcc 0
89 mol 238 unq 2 iso 1 dist 7.31233 6.22714 5.34096 12.6986 7.67322 12.1937 5.17471 7.19008 7.49471 9.50847 numMergedOcc 0
90 mol 272 unq 0 iso 0 dist 8.33638 8.46116 5.40809 5.63139 6.73206 9.09992 8.52877 10.1966 6.16449 9.75529 numMergedOcc 0
91 mol 272 unq 0 iso 1 dist 8.46116 8.33638 5.40809 8.52877 6.16449 10.1966 5.63139 9.09992 6.73206 9.75529 numMergedOcc 0
