0 mol 7 unq 0 iso 0 dist 8.41585 5.99972 12.0193 5.99459 6.88805 6.12483 5.13353 11.659 9.68006 10.1349 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 9.68596 14.7759 9.87885 12.8323 10.1841 9.0379 16.7601 6.7985 10.25 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 8.72114 13.8829 9.67164 13.156 5.5683 11.8172 18.3807 6.02702 10.2465 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 9.62879 7.18019 4.36226 9.01112 7.12261 4.1204 10.9495 10.9634 7.03958 6.56356 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 9.62879 7.18019 4.36226 9.01112 7.12261 4.1204 8.4069 8.96553 8.53529 12.536 numMergedOcc 0
5 mol 8 unq 2 iso 0 dist 9.62879 7.18019 4.36226 9.01112 7.12261 4.1204 6.23795 12.4058 8.44009 7.62333 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 6.86014 9.41441 6.66749 7.95042 5.69214 10.0453 11.4989 11.0194 6.73939 10.9113 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 8.86116 8.60554 8.52463 8.09311 11.6226 15.4445 14.6259 15.5324 8.4051 20.3516 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 8.86116 8.60554 8.52463 8.09311 11.6226 15.4445 10.0952 6.86014 7.29868 16.0162 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 8.86116 8.60554 8.52463 9.05357 13.1949 11.8971 14.6259 15.5324 8.4051 12.5061 numMergedOcc 0
10 mol 24 unq 4 iso 0 dist 8.86116 8.60554 8.52463 9.05357 13.1949 11.8971 10.0952 6.86014 7.29868 16.8554 numMergedOcc 0
11 mol 24 unq 5 iso 0 dist 8.86116 9.44691 13.4893 8.09311 11.6226 13.0295 14.6259 15.5324 8.75662 20.3516 numMergedOcc 0
12 mol 24 unq 6 iso 0 dist 8.86116 9.44691 13.4893 9.05357 13.1949 4.02219 14.6259 15.5324 8.75662 12.5061 numMergedOcc 0
13 mol 24 unq 7 iso 0 dist 8.86116 9.41441 14.012 7.95042 5.11636 10.0453 11.4989 13.2433 6.73939 10.9113 numMergedOcc 0
14 mol 24 unq 8 iso 0 dist 8.38394 8.60554 12.3994 8.09311 6.17155 15.4445 14.6259 17.8264 8.4051 20.3516 numMergedOcc 0
15 mol 24 unq 9 iso 0 dist 8.38394 8.60554 12.3994 8.09311 6.17155 15.4445 10.0952 12.5077 7.29868 16.0162 numMergedOcc 0
16 mol 24 unq 10 iso 0 dist 8.38394 8.60554 12.3994 9.05357 10.3122 11.8971 14.6259 17.8264 8.4051 12.5061 numMergedOcc 0
17 mol 24 unq 11 iso 0 dist 8.38394 8.60554 12.3994 9.05357 10.3122 11.8971 10.0952 12.5077 7.29868 16.8554 numMergedOcc 0
18 mol 24 unq 12 iso 0 dist 8.38394 9.44691 12.505 8.09311 6.17155 13.0295 14.6259 17.8264 8.75662 20.3516 numMergedOcc 0
19 mol 24 unq 13 iso 0 dist 8.38394 9.44691 12.505 9.05357 10.3122 4.02219 14.6259 17.8264 8.75662 12.5061 numMergedOcc 0
20 mol 24 unq 14 iso 0 dist 5.54419 8.70827 5.59311 6.6219 4.82629 4.04519 12.3067 7.36323 9.12854 11.0181 numMergedOcc 0
21 mol 24 unq 15 iso 0 dist 5.54419 8.70827 5.59311 5.68215 10.1698 13.7009 12.3067 7.36323 9.12854 17.003 numMergedOcc 0
22 mol 24 unq 16 iso 0 dist 5.54419 6.73939 12.176 6.6219 4.82629 12.5545 11.4989 15.5324 9.41441 17.6792 numMergedOcc 0
23 mol 24 unq 17 iso 0 dist 5.54419 6.73939 12.176 5.68215 10.1698 4.08755 11.4989 15.5324 9.41441 12.5088 numMergedOcc 0
24 mol 24 unq 18 iso 0 dist 7.36323 9.12854 5.59311 8.87744 6.28159 9.86385 12.3067 5.54419 8.70827 10.4135 numMergedOcc 0
25 mol 24 unq 19 iso 0 dist 7.36323 9.12854 5.59311 7.27472 5.50396 10.4353 12.3067 5.54419 8.70827 9.33482 numMergedOcc 0
26 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 7.52933 5.03027 11.0227 10.9391 11.9561 6.16347 16.4232 numMergedOcc 0
27 mol 25 unq 1 iso 0 dist 5.04899 7.45383 7.33728 6.55597 4.69295 4.98822 10.9391 11.9561 6.16347 11.037 numMergedOcc 0
28 mol 25 unq 2 iso 0 dist 5.04899 7.45383 7.33728 9.71956 12.2542 10.3547 10.9391 11.9561 6.16347 14.581 numMergedOcc 0
29 mol 25 unq 3 iso 0 dist 5.04899 7.45383 7.33728 7.07751 8.79309 7.91914 10.9391 11.9561 6.16347 13.0315 numMergedOcc 0
30 mol 25 unq 4 iso 0 dist 5.04899 7.45383 7.33728 8.23761 8.17061 11.7069 10.9391 11.9561 6.16347 17.2964 numMergedOcc 0
31 mol 25 unq 5 iso 0 dist 5.04899 7.45383 7.33728 9.49421 13.6145 9.62058 10.9391 11.9561 6.16347 9.48085 numMergedOcc 0
32 mol 25 unq 6 iso 0 dist 5.04899 8.87757 5.77929 7.05196 6.47509 3.904 15.5644 12.7009 8.50222 10.9703 numMergedOcc 0
33 mol 25 unq 7 iso 0 dist 5.04899 8.87757 5.77929 7.05196 6.47509 3.904 16.1048 12.8117 7.55264 10.3338 numMergedOcc 0
34 mol 25 unq 8 iso 0 dist 7.57578 6.16347 9.34396 4.79873 10.2864 5.46578 10.9391 12.7009 7.45383 12.3944 numMergedOcc 0
35 mol 25 unq 9 iso 0 dist 7.57578 6.16347 9.34396 9.48085 5.18617 9.62058 10.9391 12.7009 7.45383 9.49421 numMergedOcc 0
36 mol 25 unq 10 iso 0 dist 7.57578 7.92503 6.11127 4.79873 10.2864 11.0175 10.6808 13.7311 8.6653 11.4732 numMergedOcc 0
37 mol 25 unq 11 iso 0 dist 7.57578 7.92503 6.11127 9.48085 5.18617 10.2758 10.6808 13.7311 8.6653 17.8732 numMergedOcc 0
38 mol 25 unq 12 iso 0 dist 7.17969 6.16347 10.8498 4.79873 11.4148 5.46578 10.9391 12.8117 7.45383 12.3944 numMergedOcc 0
39 mol 25 unq 13 iso 0 dist 7.17969 6.16347 10.8498 9.48085 5.68041 9.62058 10.9391 12.8117 7.45383 9.49421 numMergedOcc 0
40 mol 25 unq 14 iso 0 dist 7.17969 7.92503 5.30154 4.79873 11.4148 11.0175 10.6808 12.9968 8.6653 11.4732 numMergedOcc 0
41 mol 25 unq 15 iso 0 dist 7.17969 7.92503 5.30154 9.48085 5.68041 10.2758 10.6808 12.9968 8.6653 17.8732 numMergedOcc 0
42 mol 25 unq 16 iso 0 dist 7.31767 8.6653 5.64303 7.6114 6.10919 10.8122 10.6808 12.4135 7.92503 16.617 numMergedOcc 0
43 mol 25 unq 17 iso 0 dist 6.03987 8.6653 5.82503 7.6114 5.86705 10.8122 10.6808 11.6743 7.92503 16.617 numMergedOcc 0
44 mol 58 unq 0 iso 0 dist 6.62496 5.93884 5.78774 9.22598 9.87158 5.66912 5.30792 6.86465 9.92355 13.3281 numMergedOcc 0
45 mol 58 unq 1 iso 0 dist 6.62496 5.93884 5.78774 9.22598 9.87158 5.66912 4.81926 6.35756 7.68678 8.96727 numMergedOcc 0
46 mol 58 unq 2 iso 0 dist 6.35756 7.68678 5.78774 8.96727 9.87158 5.66912 5.35073 6.86465 9.92355 13.3281 numMergedOcc 0
47 mol 58 unq 3 iso 0 dist 6.35756 7.68678 5.78774 8.96727 9.87158 5.66912 4.81926 6.62496 5.93884 9.22598 numMergedOcc 0
48 mol 58 unq 4 iso 0 dist 6.35756 7.68678 5.78774 8.01308 5.86526 5.76523 5.35073 6.86465 9.92355 11.5155 numMergedOcc 0
49 mol 58 unq 5 iso 0 dist 6.35756 7.68678 5.78774 8.01308 5.86526 5.76523 4.81926 6.62496 5.93884 9.55996 numMergedOcc 0
50 mol 85 unq 0 iso 0 dist 7.95579 7.54568 10.2865 7.7068 6.36397 4.93735 10.1164 15.309 9.39864 11.2056 numMergedOcc 0
51 mol 85 unq 1 iso 0 dist 6.19965 7.54568 8.09967 7.7068 4.41789 4.93735 10.1164 11.2656 9.39864 11.2056 numMergedOcc 0
52 mol 85 unq 2 iso 0 dist 7.66905 7.54568 4.65335 7.7068 5.59906 4.93735 10.1164 5.73196 9.39864 11.2056 numMergedOcc 0
53 mol 98 unq 0 iso 0 dist 5.08437 6.7117 7.06961 5.10496 3.9764 3.94967 8.40073 6.10456 4.47349 5.2571 numMergedOcc 0
54 mol 98 unq 1 iso 0 dist 5.08437 6.7117 7.06961 5.10496 3.9764 3.94967 10.2427 10.1136 5.65185 8.7497 numMergedOcc 0
55 mol 98 unq 2 iso 0 dist 6.10456 4.47349 7.06961 7.54889 10.4782 3.92737 8.40073 5.08437 6.7117 9.81956 numMergedOcc 0
56 mol 98 unq 3 iso 0 dist 6.10456 4.47349 7.06961 7.54889 10.4782 3.92737 5.02887 10.1136 5.65185 7.78931 numMergedOcc 0
57 mol 98 unq 4 iso 0 dist 6.10456 4.47349 7.06961 5.2571 3.9764 3.94967 8.40073 5.08437 6.7117 5.10496 numMergedOcc 0
58 mol 98 unq 5 iso 0 dist 6.10456 4.47349 7.06961 5.2571 3.9764 3.94967 5.02887 10.1136 5.65185 8.7497 numMergedOcc 0
59 mol 100 unq 0 iso 0 dist 8.87449 7.80975 7.97897 9.90751 9.72773 15.0328 10.8586 10.9461 7.10378 15.6594 numMergedOcc 0
60 mol 100 unq 1 iso 0 dist 8.87449 7.80975 7.97897 9.21662 9.39125 12.48 10.8586 10.9461 7.10378 10.5432 numMergedOcc 0
61 mol 119 unq 0 iso 0 dist 8.73993 6.52773 7.20179 7.64052 9.68677 5.37917 4.85907 10.3704 9.11344 6.99446 numMergedOcc 0
62 mol 119 unq 1 iso 0 dist 9.87172 9.11344 10.9441 6.99446 6.20019 5.37917 4.85907 12.6489 6.52773 7.64052 numMergedOcc 0
63 mol 133 unq 0 iso 0 dist 7.24514 7.71248 4.34568 8.26547 5.03174 8.88402 6.761 9.91388 9.97654 12.4934 numMergedOcc 0
64 mol 133 unq 1 iso 0 dist 7.24514 7.71248 4.34568 8.26547 5.03174 8.88402 7.6656 9.52634 6.66772 13.5471 numMergedOcc 0
65 mol 133 unq 2 iso 0 dist 8.22656 7.71248 10.6025 8.26547 4.88025 8.88402 6.761 10.0372 9.97654 12.4934 numMergedOcc 0
66 mol 133 unq 3 iso 0 dist 8.22656 7.71248 10.6025 8.26547 4.88025 8.88402 7.6656 13.4163 6.66772 13.5471 numMergedOcc 0
67 mol 134 unq 0 iso 0 dist 8.94367 6.23142 4.57832 9.33094 7.41373 6.93712 5.00526 11.9139 7.69991 11.2896 numMergedOcc 0
68 mol 134 unq 1 iso 0 dist 8.94367 6.23142 4.57832 9.33094 7.41373 6.93712 6.81259 9.86662 9.94764 8.69531 numMergedOcc 0
69 mol 134 unq 2 iso 0 dist 6.37586 6.23142 5.29786 9.33094 10.8635 6.93712 5.00526 9.5126 7.69991 11.2896 numMergedOcc 0
70 mol 134 unq 3 iso 0 dist 6.37586 6.23142 5.29786 9.33094 10.8635 6.93712 6.81259 9.71307 9.94764 8.69531 numMergedOcc 0
71 mol 134 unq 4 iso 0 dist 6.49416 6.23142 5.71679 9.33094 12.3479 6.93712 5.00526 6.54501 7.69991 11.2896 numMergedOcc 0
72 mol 134 unq 5 iso 0 dist 6.49416 6.23142 5.71679 9.33094 12.3479 6.93712 6.81259 12.5075 9.94764 8.69531 numMergedOcc 0
73 mol 134 unq 6 iso 0 dist 9.86662 9.94764 4.57832 9.1998 12.8086 11.5269 11.3271 11.9139 7.69991 12.4385 numMergedOcc 0
74 mol 134 unq 7 iso 0 dist 9.86662 9.94764 4.57832 9.1998 12.8086 11.5269 6.81259 8.94367 6.23142 11.0808 numMergedOcc 0
75 mol 134 unq 8 iso 0 dist 9.86662 9.94764 4.57832 8.69531 7.41373 6.93712 11.3271 11.9139 7.69991 11.2896 numMergedOcc 0
76 mol 134 unq 9 iso 0 dist 9.86662 9.94764 4.57832 8.69531 7.41373 6.93712 6.81259 8.94367 6.23142 9.33094 numMergedOcc 0
77 mol 134 unq 10 iso 0 dist 9.71307 9.94764 5.29786 9.1998 15.0225 11.5269 11.3271 9.5126 7.69991 12.4385 numMergedOcc 0
78 mol 134 unq 11 iso 0 dist 9.71307 9.94764 5.29786 9.1998 15.0225 11.5269 6.81259 6.37586 6.23142 11.0808 numMergedOcc 0
79 mol 134 unq 12 iso 0 dist 9.71307 9.94764 5.29786 8.69531 10.8635 6.93712 11.3271 9.5126 7.69991 11.2896 numMergedOcc 0
80 mol 134 unq 13 iso 0 dist 9.71307 9.94764 5.29786 8.69531 10.8635 6.93712 6.81259 6.37586 6.23142 9.33094 numMergedOcc 0
81 mol 181 unq 0 iso 0 dist 9.1374 6.2479 6.6251 9.76212 12.9532 6.39406 6.01247 9.94371 6.22122 8.59874 numMergedOcc 0
82 mol 181 unq 1 iso 0 dist 9.1374 6.2479 6.6251 9.76212 12.9532 6.39406 8.88798 5.98885 7.99195 13.2783 numMergedOcc 0
83 mol 181 unq 2 iso 0 dist 8.03334 6.2479 7.81713 9.76212 6.50233 6.39406 6.01247 10.9639 6.22122 8.59874 numMergedOcc 0
84 mol 181 unq 3 iso 0 dist 8.03334 6.2479 7.81713 9.76212 6.50233 6.39406 8.88798 10.7062 7.99195 13.2783 numMergedOcc 0
85 mol 186 unq 0 iso 0 dist 7.54065 8.73217 11.7429 6.61112 11.0961 4.03697 14.5862 16.3985 7.76163 11.651 numMergedOcc 0
86 mol 238 unq 0 iso 0 dist 5.72887 9.24557 14.7883 9.72188 7.06793 17.1065 10.0191 13.5431 7.57812 14.4013 numMergedOcc 0
87 mol 259 unq 0 iso 0 dist 8.13497 7.98231 8.41846 9.46361 12.2293 4.10176 6.96053 10.3935 7.08526 6.95511 numMergedOcc 0
88 mol 259 unq 1 iso 0 dist 7.88519 7.98231 8.81835 9.46361 11.6988 4.10176 6.96053 7.46176 7.08526 6.95511 numMergedOcc 0
89 mol 259 unq 2 iso 0 dist 7.46176 7.08526 8.81835 5.85442 10.067 4.47425 6.96053 7.88519 7.98231 10.3406 numMergedOcc 0
90 mol 259 unq 3 iso 0 dist 7.46176 7.08526 8.81835 6.95511 11.6988 4.10176 6.96053 7.88519 7.98231 9.46361 numMergedOcc 0
