0 mol 7 unq 0 iso 0 dist 7.10621 9.36807 10.515 7.31201 10.789 6.57017 13.2247 10.5461 6.36911 10.672 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 5.46498 6.58035 5.94084 8.41862 6.73355 10.9633 10.7015 12.5273 7.03948 17.3012 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 5.46498 6.58035 5.94084 8.41862 6.73355 10.9633 5.32694 7.63133 5.47769 13.0191 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 5.46498 8.41862 6.73355 6.58035 5.94084 10.9633 5.74188 8.71745 8.16785 12.1189 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 7.20519 8.23643 11.0832 8.78293 5.31524 12.7954 5.03957 12.1187 8.73972 12.6444 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 7.20519 8.23643 11.0832 7.82528 10.4988 11.0033 5.03957 12.1187 8.73972 10.2708 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 7.20519 7.82528 10.4988 8.78293 5.31524 14.7664 10.8007 15.679 6.00439 19.07 numMergedOcc 0
7 mol 19 unq 3 iso 0 dist 7.20519 7.82528 10.4988 8.78293 5.31524 14.7664 7.67038 10.4091 6.20943 13.4721 numMergedOcc 0
8 mol 19 unq 4 iso 0 dist 7.20519 7.82528 10.4988 8.23643 11.0832 11.0033 10.8007 15.679 6.00439 14.2119 numMergedOcc 0
9 mol 19 unq 5 iso 0 dist 7.20519 7.82528 10.4988 8.23643 11.0832 11.0033 7.67038 10.4091 6.20943 14.6255 numMergedOcc 0
10 mol 19 unq 6 iso 0 dist 4.54938 8.23643 6.55187 8.78293 10.9543 12.7954 5.03957 7.82074 8.73972 12.6444 numMergedOcc 0
11 mol 19 unq 7 iso 0 dist 4.54938 8.23643 6.55187 7.82528 5.14627 11.0033 5.03957 7.82074 8.73972 10.2708 numMergedOcc 0
12 mol 19 unq 8 iso 0 dist 4.54938 7.82528 5.14627 8.78293 10.9543 14.7664 10.8007 9.78944 6.00439 19.07 numMergedOcc 0
13 mol 19 unq 9 iso 0 dist 4.54938 7.82528 5.14627 8.78293 10.9543 14.7664 7.67038 8.4674 6.20943 13.4721 numMergedOcc 0
14 mol 19 unq 10 iso 0 dist 4.54938 7.82528 5.14627 8.23643 6.55187 11.0033 10.8007 9.78944 6.00439 14.2119 numMergedOcc 0
15 mol 19 unq 11 iso 0 dist 4.54938 7.82528 5.14627 8.23643 6.55187 11.0033 7.67038 8.4674 6.20943 14.6255 numMergedOcc 0
16 mol 19 unq 12 iso 0 dist 6.864 8.23643 12.3093 8.78293 11.4401 12.7954 5.03957 11.0366 8.73972 12.6444 numMergedOcc 0
17 mol 19 unq 13 iso 0 dist 6.864 8.23643 12.3093 7.82528 4.69858 11.0033 5.03957 11.0366 8.73972 10.2708 numMergedOcc 0
18 mol 19 unq 14 iso 0 dist 6.864 7.82528 4.69858 8.78293 11.4401 14.7664 10.8007 9.56313 6.00439 19.07 numMergedOcc 0
19 mol 19 unq 15 iso 0 dist 6.864 7.82528 4.69858 8.78293 11.4401 14.7664 7.67038 4.51865 6.20943 13.4721 numMergedOcc 0
20 mol 19 unq 16 iso 0 dist 6.864 7.82528 4.69858 8.23643 12.3093 11.0033 10.8007 9.56313 6.00439 14.2119 numMergedOcc 0
21 mol 19 unq 17 iso 0 dist 6.864 7.82528 4.69858 8.23643 12.3093 11.0033 7.67038 4.51865 6.20943 14.6255 numMergedOcc 0
22 mol 58 unq 0 iso 0 dist 6.64012 6.46761 5.24906 7.58407 5.11205 6.44201 10.8153 13.497 8.63333 14.2147 numMergedOcc 0
23 mol 58 unq 1 iso 0 dist 6.64012 6.46761 5.24906 7.58407 5.11205 6.44201 8.62958 12.1902 8.89374 14.3086 numMergedOcc 0
24 mol 58 unq 2 iso 0 dist 6.64012 6.46761 5.24906 7.58407 5.11205 6.44201 6.47414 9.4099 9.73139 6.31428 numMergedOcc 0
25 mol 58 unq 3 iso 0 dist 6.64012 7.58407 5.11205 6.46761 5.24906 6.44201 11.0466 11.396 6.40841 10.9482 numMergedOcc 0
26 mol 58 unq 4 iso 0 dist 6.64012 7.58407 5.11205 6.46761 5.24906 6.44201 6.47414 9.4099 6.31428 9.73139 numMergedOcc 0
27 mol 58 unq 5 iso 0 dist 9.4099 9.73139 5.24906 6.31428 5.11205 6.44201 14.5953 13.497 8.63333 14.2147 numMergedOcc 0
28 mol 58 unq 6 iso 0 dist 9.4099 9.73139 5.24906 6.31428 5.11205 6.44201 14.176 12.1902 8.89374 14.3086 numMergedOcc 0
29 mol 58 unq 7 iso 0 dist 9.4099 9.73139 5.24906 6.31428 5.11205 6.44201 6.47414 6.64012 6.46761 7.58407 numMergedOcc 0
30 mol 58 unq 8 iso 0 dist 9.4099 6.31428 5.11205 9.73139 5.24906 6.44201 5.90225 11.396 6.40841 10.9482 numMergedOcc 0
31 mol 58 unq 9 iso 0 dist 9.4099 6.31428 5.11205 9.73139 5.24906 6.44201 6.47414 6.64012 7.58407 6.46761 numMergedOcc 0
32 mol 58 unq 10 iso 0 dist 9.55426 9.73139 13.1021 6.31428 6.75888 6.44201 14.5953 20.7459 8.63333 14.2147 numMergedOcc 0
33 mol 58 unq 11 iso 0 dist 9.55426 9.73139 13.1021 6.31428 6.75888 6.44201 14.176 20.984 8.89374 14.3086 numMergedOcc 0
34 mol 58 unq 12 iso 0 dist 9.55426 9.73139 13.1021 6.31428 6.75888 6.44201 6.47414 13.4544 6.46761 7.58407 numMergedOcc 0
35 mol 58 unq 13 iso 0 dist 9.55426 6.31428 6.75888 9.73139 13.1021 6.44201 5.90225 7.32874 6.40841 10.9482 numMergedOcc 0
36 mol 58 unq 14 iso 0 dist 9.55426 6.31428 6.75888 9.73139 13.1021 6.44201 6.47414 13.4544 7.58407 6.46761 numMergedOcc 0
37 mol 70 unq 0 iso 0 dist 9.65964 7.92394 6.65811 9.93423 5.47516 4.25121 5.22626 10.1773 8.33704 11.6205 numMergedOcc 0
38 mol 70 unq 1 iso 0 dist 9.65964 7.92394 6.65811 9.34122 11.0952 13.6636 5.22626 10.1773 8.33704 13.4942 numMergedOcc 0
39 mol 115 unq 0 iso 0 dist 9.33865 9.66954 6.09023 7.64585 10.2377 12.0796 7.69052 5.83991 8.66155 12.2309 numMergedOcc 0
40 mol 115 unq 1 iso 0 dist 6.11741 9.66954 4.61908 7.64585 10.8939 12.0796 7.69052 7.88312 8.66155 12.2309 numMergedOcc 0
41 mol 119 unq 0 iso 0 dist 9.87172 6.19042 6.35763 9.38288 11.7228 6.59581 9.22558 10.1813 8.43904 14.332 numMergedOcc 0
42 mol 119 unq 1 iso 0 dist 9.87172 6.19042 6.35763 7.44174 7.36192 8.58342 9.22558 10.1813 8.43904 13.4411 numMergedOcc 0
43 mol 119 unq 2 iso 0 dist 9.87172 7.44174 7.36192 9.38288 11.7228 11.6138 11.3169 14.5183 7.39889 17.0377 numMergedOcc 0
44 mol 119 unq 3 iso 0 dist 9.87172 7.44174 7.36192 9.38288 11.7228 11.6138 12.4603 10.3704 9.63176 19.596 numMergedOcc 0
45 mol 119 unq 4 iso 0 dist 9.87172 7.44174 7.36192 6.19042 6.35763 8.58342 11.3169 14.5183 7.39889 15.1819 numMergedOcc 0
46 mol 119 unq 5 iso 0 dist 9.87172 7.44174 7.36192 6.19042 6.35763 8.58342 12.4603 10.3704 9.63176 14.0269 numMergedOcc 0
47 mol 119 unq 6 iso 0 dist 6.18601 8.43904 10.3457 9.80862 9.35964 4.84196 9.22558 13.9919 6.19042 10.2144 numMergedOcc 0
48 mol 127 unq 0 iso 0 dist 8.14887 8.59981 14.9761 7.34519 7.41404 12.7129 11.279 19.0925 6.192 16.5965 numMergedOcc 0
49 mol 127 unq 1 iso 0 dist 8.14887 8.59981 14.9761 7.34519 7.41404 12.7129 11.4958 18.4772 7.69308 18.1066 numMergedOcc 0
50 mol 127 unq 2 iso 0 dist 8.14887 8.59981 14.9761 7.34519 7.41404 12.7129 5.55757 12.8743 7.66331 8.58999 numMergedOcc 0
51 mol 127 unq 3 iso 0 dist 8.14887 7.34519 7.41404 8.59981 14.9761 12.7129 5.55757 12.8743 8.58999 7.66331 numMergedOcc 0
52 mol 127 unq 4 iso 0 dist 8.14887 7.34519 7.41404 8.59981 14.9761 12.7129 6.16471 11.3474 6.63981 11.7596 numMergedOcc 0
53 mol 127 unq 5 iso 0 dist 9.30299 8.59981 14.085 7.34519 13.1312 12.7129 11.279 17.6472 6.192 16.5965 numMergedOcc 0
54 mol 127 unq 6 iso 0 dist 9.30299 8.59981 14.085 7.34519 13.1312 12.7129 11.4958 15.0647 7.69308 18.1066 numMergedOcc 0
55 mol 127 unq 7 iso 0 dist 9.30299 8.59981 14.085 7.34519 13.1312 12.7129 5.55757 14.7391 7.66331 8.58999 numMergedOcc 0
56 mol 127 unq 8 iso 0 dist 9.30299 7.34519 13.1312 8.59981 14.085 12.7129 5.55757 14.7391 8.58999 7.66331 numMergedOcc 0
57 mol 127 unq 9 iso 0 dist 9.30299 7.34519 13.1312 8.59981 14.085 12.7129 6.16471 14.9565 6.63981 11.7596 numMergedOcc 0
58 mol 130 unq 0 iso 0 dist 8.70949 6.89257 8.84655 8.74308 6.76754 6.09983 6.83397 13.7544 6.79146 11.9081 numMergedOcc 0
59 mol 130 unq 1 iso 0 dist 8.70949 6.89257 8.84655 8.74308 6.76754 6.09983 7.50049 13.572 7.66168 9.12581 numMergedOcc 0
60 mol 130 unq 2 iso 0 dist 8.70949 8.74308 6.76754 6.89257 8.84655 6.09983 7.50049 13.572 9.12581 7.66168 numMergedOcc 0
61 mol 131 unq 0 iso 0 dist 6.85062 6.91348 6.19596 9.51418 6.6499 10.2027 6.63273 7.12972 8.6243 12.9472 numMergedOcc 0
62 mol 155 unq 0 iso 0 dist 6.23493 7.16254 6.3845 9.86313 5.86939 7.63368 5.71071 7.46303 9.14392 7.51198 numMergedOcc 0
63 mol 155 unq 1 iso 0 dist 6.23493 9.86313 5.86939 7.16254 6.3845 7.63368 5.71071 7.46303 7.51198 9.14392 numMergedOcc 0
64 mol 155 unq 2 iso 0 dist 7.46303 9.14392 6.3845 7.51198 5.86939 7.63368 5.71071 6.23493 7.16254 9.86313 numMergedOcc 0
65 mol 155 unq 3 iso 0 dist 7.46303 7.51198 5.86939 9.14392 6.3845 7.63368 5.71071 6.23493 9.86313 7.16254 numMergedOcc 0
66 mol 155 unq 4 iso 0 dist 6.43582 7.36102 8.27726 9.38946 12.8482 5.68272 10.7616 10.7829 7.39644 11.5473 numMergedOcc 0
67 mol 155 unq 5 iso 0 dist 6.43582 9.14392 12.1814 7.51198 6.34186 7.63368 5.71071 10.2463 7.16254 9.86313 numMergedOcc 0
68 mol 155 unq 6 iso 0 dist 6.43582 7.51198 6.34186 9.14392 12.1814 7.63368 5.71071 10.2463 9.86313 7.16254 numMergedOcc 0
69 mol 224 unq 0 iso 0 dist 8.95269 6.67585 5.29877 7.06793 9.36098 6.88258 4.70378 6.57273 6.65984 10.0414 numMergedOcc 0
70 mol 227 unq 0 iso 0 dist 8.65997 6.95902 6.43754 9.62609 14.6185 8.55671 5.22356 7.22101 8.17891 13.4493 numMergedOcc 0
71 mol 234 unq 0 iso 0 dist 9.45496 7.85175 11.216 9.5707 15.9563 5.32617 5.88703 6.56247 6.25105 10.3388 numMergedOcc 0
72 mol 234 unq 1 iso 0 dist 6.7625 7.85175 11.4315 9.5707 14.4106 5.32617 5.88703 9.36357 6.25105 10.3388 numMergedOcc 0
73 mol 236 unq 0 iso 0 dist 8.03456 7.17676 11.8759 6.68463 9.07822 7.88539 7.28249 9.81562 5.34718 10.5713 numMergedOcc 0
74 mol 236 unq 1 iso 0 dist 6.84306 7.17676 11.3552 6.68463 11.6837 7.88539 7.28249 7.68742 5.34718 10.5713 numMergedOcc 0
75 mol 236 unq 2 iso 0 dist 9.99038 7.17676 6.04825 6.68463 8.8265 7.88539 7.28249 6.27581 5.34718 10.5713 numMergedOcc 0
76 mol 236 unq 3 iso 0 dist 9.78037 7.17676 12.6468 6.68463 5.80136 7.88539 7.28249 13.499 5.34718 10.5713 numMergedOcc 0
77 mol 236 unq 4 iso 0 dist 8.35971 7.17676 6.40312 6.68463 6.2568 7.88539 7.28249 11.2141 5.34718 10.5713 numMergedOcc 0
78 mol 238 unq 0 iso 0 dist 7.31233 6.55759 10.4664 7.02475 11.2717 6.44245 5.42006 10.0756 5.38637 9.98024 numMergedOcc 0
79 mol 238 unq 1 iso 0 dist 7.31233 6.55759 10.4664 7.67322 12.6986 10.677 5.42006 10.0756 5.38637 12.0632 numMergedOcc 0
80 mol 238 unq 2 iso 0 dist 7.31233 6.55759 10.4664 7.19008 5.17471 12.1411 5.42006 10.0756 5.38637 12.0365 numMergedOcc 0
81 mol 238 unq 3 iso 0 dist 7.31233 7.02475 11.2717 6.55759 10.4664 6.44245 12.9854 12.4767 8.96531 13.9201 numMergedOcc 0
82 mol 238 unq 4 iso 0 dist 7.31233 7.02475 11.2717 7.67322 12.6986 5.44694 12.9854 12.4767 8.96531 10.0552 numMergedOcc 0
83 mol 238 unq 5 iso 0 dist 7.31233 7.02475 11.2717 7.19008 5.17471 10.1756 12.9854 12.4767 8.96531 10.0962 numMergedOcc 0
84 mol 238 unq 6 iso 0 dist 7.31233 7.19008 5.17471 6.55759 10.4664 12.1411 5.34096 6.22714 7.49471 10.5202 numMergedOcc 0
85 mol 238 unq 7 iso 0 dist 7.31233 7.19008 5.17471 7.02475 11.2717 10.1756 5.34096 6.22714 7.49471 12.1784 numMergedOcc 0
86 mol 238 unq 8 iso 0 dist 7.31233 7.19008 5.17471 7.67322 12.6986 9.50847 5.34096 6.22714 7.49471 12.1937 numMergedOcc 0
87 mol 272 unq 0 iso 0 dist 9.97651 9.09992 10.841 6.16449 4.72202 9.75529 5.40809 13.2494 6.73206 10.1966 numMergedOcc 0
88 mol 272 unq 1 iso 0 dist 8.46116 9.09992 5.63139 6.16449 8.52877 9.75529 5.40809 8.33638 6.73206 10.1966 numMergedOcc 0
